linalool profile

Linalool is a naturally occurring terpene alcohol found in a wide variety of plants, including lavender, coriander, and bergamot. It has a sweet, floral scent and is commonly used in perfumes, cosmetics, and aromatherapy. Linalool is known for its sedative and anxiolytic effects, and it is also being investigated for its potential therapeutic benefits in conditions such as anxiety, depression, and insomnia. Linalool is synthesized in plants through the mevalonic acid pathway. It is a chiral molecule, and the (S)-enantiomer is more commonly found in nature than the (R)-enantiomer. Linalool is studied for its potential medicinal properties, particularly its effects on the central nervous system. It has been shown to reduce anxiety, promote relaxation, and improve sleep quality. Additionally, linalool has antimicrobial and anti-inflammatory properties, which are being investigated for their potential therapeutic applications. Linalool is important because of its wide range of applications, including its use as a fragrance ingredient, its potential therapeutic benefits, and its role in plant defense mechanisms.'

linalool: RN given refers to parent cpd without isomeric designation; structure [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

linalool : A monoterpenoid that is octa-1,6-diene substituted by methyl groups at positions 3 and 7 and a hydroxy group at position 3. It has been isolated from plants like Ocimum canum. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

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Flora	Rank	Flora Definition	Family	Family Definition
Ocimum	genus	A plant genus of the family Lamiaceae which occurs in tropical and warm temperate regions worldwide. It includes the aromatic herb OCIMUM BASILICUM (Sweet Basil) and the MEDICINAL PLANT Ocimum tenuiflorum (Holy Basil).[MeSH]	Lamiaceae	The mint plant family. They are characteristically aromatic, and many of them are cultivated for their oils. Most have square stems, opposite leaves, and two-lipped, open-mouthed, tubular corollas (united petals), with five-lobed, bell-like calyxes (united sepals).[MeSH]

ID Source	ID
PubMed CID	6549
CHEMBL ID	25306
CHEBI ID	17580
SCHEMBL ID	20316
MeSH ID	M0070275

Synonym
AC-551
MLS002152908
smr000112394
gtpl2469
3,6-octadien-3-ol
wln: 1u1xq1&3uy1&1
allo-ocimenol
3,6-dien-3-ol
p-linalool
linalol
1, 3,7-dimethyl-, (-)-
nsc-3789
2,7-dien-6-ol
nsc3789 ,
wln: 1y1&u3xq1&1u1 -,-
linolool (d)
linalyl alcohol
.beta.-linalool
2,7-octadiene-6-ol
beta-linalool
2,6-dimethylocta-2,7-dien-6-ol
CHEBI:17580 ,
( )-linalool
1,6-octadien-3-ol, 3,7-dimethyl-
2,6-dimethyl-2,7-octadiene-6-ol
caswell no. 526a
hsdb 645
brn 1721488
fema number 2635
epa pesticide chemical code 128838
(+-)-linalool
ai3-00942
2,7-octadien-6-ol, 2,6-dimethyl-
(1)-3,7-dimethyl-1,6-octadien-3-ol
fema no. 2635
einecs 245-083-6
einecs 201-134-4
nsc 3789
ccris 6557
3,7-dimethyl-1,6-octadien-3-ol
2,6-dimethyl-2,7-octadien-6-ol
linalool (natural)
(s)-linalol
NCGC00091688-01
linalool
C03985
78-70-6
(rs)-linalool
3,7-dimethylocta-1,6-dien-3-ol
linalool, 97%
linalool, >=97%, fcc, fg
CU-01000013132-2
NCGC00091688-03
NCGC00091688-02
CHEMBL25306
L0048
NCGC00091688-04
3,7-dimethyl-octa-1,6-dien-3-ol
tox21_303037
NCGC00257060-01
dtxsid7025502 ,
dtxcid305502
cas-78-70-6
tox21_201658
NCGC00259207-01
HMS2268E18
ec 201-134-4
0-01-00-00462 (beilstein handbook reference)
d81qy6i88e ,
unii-d81qy6i88e
FT-0614785
STL373777
AKOS015901617
dl-3,7-dimethyl-3-hydroxy-1,6-octadiene
S4957
linalool [fcc]
diabexall
phantol
linalool, (+/-)-
l 260-2
linalool [fhfi]
linalool [inci]
ndi 595 [fdms]
linalool [who-dd]
linalool, dl-
(+/-)-linalool
linalool [mi]
linalool [usp-rs]
linalool [hsdb]
dl-linalool
BBL027734
SCHEMBL20316
22564-99-4
(.+/-.)-linalool
linolool
linanool
linalool, .beta.
Q-201306
mfcd00008906
linalool, certified reference material, tracecert(r)
linalool, analytical standard
linalool, primary pharmaceutical reference standard
\|a-linalool
linalool 1000 microg/ml in isopropanol
3,7-dimethyl-1, 6-octadien-3-ol
fema 2635
linalool b
FT-0772303
Q410932
F17676
linalool,(s)
HY-N0368
HMS3886G07
CS-0008916
CCG-266253
( inverted exclamation marka)-linalool
SY264412
mfcd09025547
AS-56047
bdbm50459894
EN300-174564
ndi 595
linalool (usp-rs)
linalool oil
Z1255402668

Excerpt	Reference	Relevance
"Linalool is a natural compound extracted from plants."	( Biological evaluation of linalool on the function of blood vessels. Li, X; Liang, Y; Wu, Y; Xiao, Y; Xie, P; Zhong, Y, 2021)	1.65
"Linalool is a monoterpenoid that exhibits several effects on the central nervous system."	( Rewarding effect of ethanol-induced conditioned place preference in mice: Effect of the monoterpenoid linalool. Yunusoğlu, O, 2022)	1.66
"Linalool is a monoterpene compound from plants of the genera Cinnamomum, Coriandrum, Lavandula, and Citrus that has demonstrated a fungicidal effect on strains of Candida spp., but its mechanism of action is still unknown."	( Antifungal activity of linalool against fluconazole-resistant clinical strains of vulvovaginal Candida albicans and its predictive mechanism of action. Bezerra, ALD; Filho, AAO; Filho, GGA; Freitas, FOR; Lima, EO; Medeiros, CIS; Morais, AMB; Nobre, MSC; Nogueira, RBSS; Nogueira, TBSS; Rolim, LADMM; Sousa, MNA; Uchoa, DPL, 2022)	1.75
"Linalool is a monoterpenoid, also a vital silvichemical with commercial applications in cosmetics, flavoring ingredients, and medicines. "	( Enhancement of linalool production in Saccharomyces cerevisiae by utilizing isopentenol utilization pathway. Cao, X; Tang, F; Wang, J; Zhang, Y, 2022)	2.52
"Linalool is a natural compound with anti-inflammatory effects in various diseases."	( Linalool inhibits the progression of osteoarthritis via the Nrf2/HO-1 signal pathway both in vitro and in vivo. Dong, M; Lin, Y; Ma, J; Miao, Z; Wang, Z; Wu, Y, 2022)	2.89
"Linalool is a monoterpene that occurs naturally in various aromatic plants and is identified in our previous study as a potential candidate for protection against high-fat diet (HFD)-induced metabolic dysfunction-associated steatotic liver disease (MASLD). "	( Linalool attenuates lipid accumulation and oxidative stress in metabolic dysfunction-associated steatotic liver disease via Sirt1/Akt/PPRA-α/AMPK and Nrf-2/HO-1 signaling pathways. Brahma Naidu, P; Chandrasekaran, P; Saravanan, G; Sathibabu Uddandrao, VV; Sengottuvelu, S; Tamilmani, P; Vadivukkarasi, S, 2023)	3.8
"Linalool is an aromatic plant-derived monoterpene alcohol with reported anti-inﬂammatory, and anti-oxidant properties."	( Linalool attenuates oxidative stress and mitochondrial dysfunction mediated by glutamate and NMDA toxicity. Boddeke, E; Dolga, A; Hobbie, F; Keerthi, A; Kortholt, A; Oun, A; Sabogal-Guáqueta, AM, 2019)	2.68
"Linalool is an enanitomer monoterpene compound identified as the pharmacologically active constituent in a number of essential oils and has been reported to display anxiolytic properties in humans and in animal models and to exert both GABAergic and glutamatergic effects. "	( Effects of linalool on extinction of mouse operant behaviour. Kennedy, PJ; Leslie, JC; Norwood, K; Shaw, D, 2020)	2.39
"Linalool is a commonly-occurring monoterpene that has various effects on insect behavior, either acting as an attractant or a repellent, and existing in nature as one of two possible stereoisomers, (R)-(-)-linalool and (S)-(+)-linalool."	( An odorant receptor from Anopheles gambiae that demonstrates enantioselectivity to the plant volatile, linalool. Huff, RM; Pitts, RJ, 2019)	1.45
"Linalool (LIN) is a monoterpene, responsible for the aroma of essential oils in some species. "	( L-linalool exerts a neuroprotective action on hemiparkinsonian rats. da Costa, RO; de Araújo, DP; de Barros Viana, GS; de Lucena, JD; Gadelha-Filho, CVJ; Lima, FAV; Neves, KRT, 2020)	2.72
"Linalool is a main component in different naturally derived essential oils, and widely used in household, personal care, food and therapeutic formulations. "	( Dual responsive linalool capsules with high loading ratio for excellent antioxidant and antibacterial efficiency. Deng, W; Hu, J; Liu, S, 2020)	2.35
"Linalool is a natural scent, found in essential oils (EOs) of several plants. "	( Oviposition-deterrent effect of linalool - a compound of citrus essential oils - on female Mediterranean fruit flies, Ceratitis capitata (Diptera: Tephritidae). Ioannou, CS; Papadopoulos, NT; Papanastasiou, SA, 2020)	2.28
"Linalool is an important terpenoids of floral scents and has wide applications. "	( De novo biosynthesis of linalool from glucose in engineered Escherichia coli. Fu, X; Guo, D; Kong, S; Li, X; Pan, H, 2020)	2.31
"Linalool is a monoterpene alcohol, which imparts floral scents to a variety of plants and is extensively used in various kinds of products, such as processed foods and beverages for fragrances and flavors. "	( Stereospecific linalool production utilizing two-phase cultivation system in Pantoea ananatis. Hoshino, Y; Katashkina, JI; Matsudaira, A; Moriya, M; Nishio, Y; Nitta, N; Usuda, Y, 2020)	2.35
"Linalool is a monoterpene compound with various potential therapeutic applications in several medical fields. "	( Linalool-Loaded Glutathione-Modified Gold Nanoparticles Conjugated with CALNN Peptide as Apoptosis Inducer and NF-κB Translocation Inhibitor in SKOV-3 Cell Line. Al-Shammari, A; Albukhaty, S; Alwahibi, M; Dewir, YH; Jabir, M; Rizwana, H; Sahib, UI; Soliman, D; Sulaiman, G; Taha, A; Taqi, Z, 2020)	3.44
"Linalool is a monoterpenoid used as a fragrance ingredient, and is a promising source for alternative fuels. "	( Isopentenol Utilization Pathway for the Production of Linalool in Escherichia coli Using an Improved Bacterial Linalool/Nerolidol Synthase. Ferraz, CA; Kosov, I; Leferink, NGH; Scrutton, NS, 2021)	2.31
"Linalool is an aromatic monoterpene produced in the Chinese medicinal plant Dendrobium officinale, but little information is available on the regulation of linalool biosynthesis. "	( The methyl jasmonate-responsive transcription factor DobHLH4 promotes DoTPS10, which is involved in linalool biosynthesis in Dendrobium officinale during floral development. Duan, J; Teixeira da Silva, JA; Yu, Z; Zhang, G; Zhao, C, 2021)	2.28
"Linalool (LN) is a monoterpene found in essential oils of plants and herbs that produces multiple effects on the mevalonate pathway and interesting antiproliferative activity in cancer cells. "	( Design, characterization and in vitro evaluation of linalool-loaded solid lipid nanoparticles as potent tool in cancer therapy. Castro, GR; de Bravo, MG; Durán, N; Islan, GA; Rodenak-Kladniew, B, 2017)	2.15
"Linalool is an acyclic monoterpene alcohol possessing various pharmacological activities."	( SIRT3-SOD2-ROS pathway is involved in linalool-induced glioma cell apoptotic death. Cheng, Y; Dai, C; Zhang, J, 2017)	1.45
"Linalool (LIN) is a monoterpene alcohol present in some aromatic medicinal plants with biological activities that can impact cardiovascular diseases. "	( Antihypertensive potential of linalool and linalool complexed with β-cyclodextrin: Effects of subchronic treatment on blood pressure and vascular reactivity. Araújo, AAS; Camargo, SB; de Melo Jesus, A; Evangelista, A; Fregoneze, JB; Medeiros, CFA; Quintans-Júnior, LJ; Silva, DF; Simões, LO; Villarreal, CF, 2018)	2.21
"Linalool is a plant-derived monoterpene with anticancer activity, however its mechanisms of action remain poorly understood. "	( Linalool induces cell cycle arrest and apoptosis in HepG2 cells through oxidative stress generation and modulation of Ras/MAPK and Akt/mTOR pathways. Castro, A; Crespo, R; De Saeger, C; García de Bravo, M; Rodenak-Kladniew, B; Stärkel, P, 2018)	3.37
"Linalool is a monoterpene alcohol which occurs naturally in several aromatic plants. "	( Novel of nano delivery system for Linalool loaded on gold nanoparticles conjugated with CALNN peptide for application in drug uptake and induction of cell death on breast cancer cell line. Al-Shammari, AM; Jabir, MS; Sahib, UI; Salman, AS; Taha, AA; Taqi, ZJ, 2019)	2.24
"Linalool is an essential oil that has been recently studied for its procardiovascular effects, thus the aim of the study involved to identify its potential role on vascular calcification (VC)."	( Efficacy of linalool to ameliorate uremia induced vascular calcification in wistar rats. Bhardwaj, A; Kaul, S; Kaur, T, 2018)	2.3
"Linalool is a natural product present in fruits and aromatic plants with biological activities. "	( Anti-inflammatory effects of linalool on ovalbumin-induced pulmonary inflammation. Ahn, HI; Ahn, KS; Hwang, JY; Kim, MG; Kim, SM; Kwon, OK; Lee, JW; Min, JH; Oh, SR; Park, JW; Park, MH, 2019)	2.25
"Linalool is a fragrance widely used in cosmetics and household products. "	( Linalool Hydroperoxides. de Groot, A, )	3.02
"(-)-Linalool is a monoterpene compound commonly found as a major component of the essential oil of several aromatic species. "	( Neurobehavioral and genotoxic evaluation of (-)-linalool in mice. Coelho, V; da Silva Brum, LF; Martins, DF; Mazzardo-Martins, L; Pereira, P; Picada, JN; Santos, AR, 2013)	1.2
"Linalool is a common floral scent and found to be released from leaves by many plants after herbivore attack."	( Chrysanthemum expressing a linalool synthase gene 'smells good', but 'tastes bad' to western flower thrips. Jongsma, MA; Stoopen, G; Thoen, M; Wiegers, G; Yang, T, 2013)	1.41
"Linalool is an important intermediate for syntheses of isoprenoid fragrance compounds and vitamins A and E. "	( Thermal behavior of pinan-2-ol and linalool. Bonrath, W; Leiner, J; Netscher, T; Ondruschka, B; Stolle, A, 2013)	2.11
"Linalool is a monoterpene alcohol and constituent of several Brazilian aromatic medicinal plants, popularly used against hypertension. "	( Cardiovascular effects induced by linalool in normotensive and hypertensive rats. Anjos, PJ; Antoniolli, AR; Cunha, PS; De Sousa, DP; Lima, AO; Medeiros, IA; Onofre, AS; Quintans-Júnior, LJ; Ribeiro, TP; Santosa, MR, )	1.85
"Linalool is an important monoterpene, and widely used in food, pharmaceutical and cosmetic industry. "	( [Regulation of isoprenoid pathway for enhanced production of linalool in Saccharomyces cerevisiae]. Chen, J; Du, G; Liu, J; Sun, M; Zhou, J, 2013)	2.07
"Linalool is a natural plant-product used in perfumes, cosmetics, and flavoring agents. "	( Evaluation of linalool, a natural antimicrobial and insecticidal essential oil from basil: effects on poultry. Anderson, RC; Beier, RC; Byrd, JA; Hume, ME; Kubena, LF; McReynolds, JL; Nisbet, DJ, 2014)	2.21
"Linalool is a commonly used fragrance terpene that forms potent sensitizers upon oxidation. "	( Air-oxidized linalool elicits eczema in allergic patients - a repeated open application test study. Andersch Björkman, Y; Bråred Christensson, J; Hagvall, L; Karlberg, AT; Niklasson, B; Siwmark, C, 2014)	2.21
"Linalool is a naturally occurring terpene alcohol commonly found in flowers and spices with reportedly repellent properties."	( Experimental hut evaluation of linalool spatial repellent agar gel against Anopheles gambiae sensu stricto mosquitoes in a semi-field system in Bagamoyo, Tanzania. Maia, MF; Massinda, BM; Mbeyela, EM; Moore, SJ; Tambwe, MM, 2014)	1.41
"Linalool was found to be a significant contributor to the insecticidal and repellent activities."	( GC×GC-TOFMS Analysis of Essential Oils Composition from Leaves, Twigs and Seeds of Cinnamomum camphora L. Presl and Their Insecticidal and Repellent Activities. Cao, X; Jiang, H; Song, L; Tang, F; Wang, J; Yao, X; Yue, Y, 2016)	1.16
"The linalool is a plant secondary metabolite that has been recognized as a neuroprotective agent."	( Induction of linalool as a pharmaceutical and medicinal metabolite via cell suspension culture of cumin (Cuminum cyminum L.). Kahrizi, D; Karim, H; Kazemi, N; Khanahmadi, M; Mansouri, M; Mohammadi, N; Shokrinia, M; Vaziri, S; Zargooshi, J, 2016)	1.28
"Linalool is an important compound that contributes to the floral aroma in wines. "	( Effect of light exposure on linalool biosynthesis and accumulation in grape berries. Ikoma, G; Kobayashi, H; Matsuo, H; Matsuyama, S; Sasaki, K; Takase, H; Takata, R, 2016)	2.17
"(-)-Linalool is a monoterpene constituent of many essential oils. "	( Beta-cyclodextrin enhanced gastroprotective effect of (-)-linalool, a monoterpene present in rosewood essential oil, in gastric lesion models. da Costa, DS; da Silva, FV; de Barros Fernandes, H; de Cássia Meneses Oliveira, R; de Lira, KL; de Sousa, AA; Lopes, MT; Oliveira, IS; Quintans-Júnior, LJ; Viana, AF, 2016)	1.24
"Linalool is a major constituent of the essential oil of several plant species and possesses several biological activities. "	( The effects of linalool on the excitability of central neurons of snail Caucasotachea atrolabiata. Bazleh, S; Janahmadi, M; Vatanparast, J, 2017)	2.25
"Linalool is a monoterpene alcohol with pharmacological properties."	( Inibitory effects of linalool on fungal pathogenicity of clinical isolates of Microsporum canis and Microsporum gypseum. Cardoso, GN; Lima, MIO; Pereira, FO; Santos, AS; Silva, GS; Silva, KVS, 2017)	1.5
"Linalool (LI) is a volatile monoterpene showing positive effect in AD treatment."	( Protective effects of linalool against amyloid beta-induced cognitive deficits and damages in mice. Aibai, S; Dong, L; Gao, L; Liu, X; Lu, C; Wang, K; Xu, P; Yan, M; Yang, Y, 2017)	1.49
"(-)-Linalool is a monoterpene alcohol which is present in the essential oils of several aromatic plants. "	( Evidence for the involvement of ionotropic glutamatergic receptors on the antinociceptive effect of (-)-linalool in mice. Batista, PA; Brum, LF; Burgos, L; Oliveira, EC; Pereira, P; Santos, AR; Werner, MF, 2008)	1.12
"Linalool is a monoterpene often found as a major component of essential oils obtained from aromatic plant species, many of which are used in traditional medical systems as hypno-sedatives. "	( Inhaled linalool-induced sedation in mice. Caramão, EB; da Silva, AL; Dupont Birck, F; Elisabetsky, E; Figueiró, M; Herrmann, AP; Linck, VM; Moreno, PR; Nunes, DS; Piato, AL, 2009)	2.23
"(-)-Linalool is a natural compound with anti-inflammatory and antinociceptive properties. "	( (-)-Linalool attenuates allodynia in neuropathic pain induced by spinal nerve ligation in c57/bl6 mice. Bagetta, G; Berliocchi, L; Corasaniti, MT; Fratto, V; Levato, A; Mercuri, NB; Russo, R; Sakurada, S; Sakurada, T, 2009)	1.47
"Linalool is a monoterpene commonly found as the major volatile component of EOs in several aromatic plant species."	( Effects of inhaled Linalool in anxiety, social interaction and aggressive behavior in mice. Caramão, EB; da Silva, AL; Elisabetsky, E; Figueiró, M; Linck, VM; Moreno, PR, 2010)	1.41
"Linalool is a widely used fragrance terpene. "	( Linalool--a significant contact sensitizer after air exposure. Bruze, M; Christensson, JB; Gruvberger, B; Karlberg, AT; Matura, M, 2010)	3.25
"Linalool is a terpene that occurs as a major constituent of essential oils of many plants of widespread distribution. "	( Linalool blocks excitability in peripheral nerves and voltage-dependent Na+ current in dissociated dorsal root ganglia neurons. Barbosa, R; Cruz, JS; da Silva-Alves, KS; de Albuquerque-Neto, PM; de Macedo, FH; dos Santos-Nascimento, T; Ferreira-da-Silva, FW; Joca, HC; Lahlou, S; Leal-Cardoso, JH; Magalhães, PJ, 2010)	3.25
"Linalool oxide is a monoterpene that is found in some species of aromatic plants. "	( Anxiolytic-like effects of inhaled linalool oxide in experimental mouse anxiety models. de Almeida, RN; de Carvalho, FL; de Morais, LC; de Sousa, DP; Netto, SM; Souto-Maior, FN, 2011)	2.09
"Linalool is a well-known sedative compound and its formation during digestion could enhance the sedative effect of hop oil."	( Monitoring of biotransformation of hop aroma compounds in an in vitro digestion model. Buettner, A; Heinlein, A, 2012)	1.1
"Linalool is a common fragrance terpene that, in pure form, is not allergenic or is a very weak allergen. "	( Air-oxidized linalool: a frequent cause of fragrance contact allergy. Andersen, KE; Bråred Christensson, J; Bruze, M; Garcia-Bravo, B; Gimenez Arnau, A; Goh, CL; Johansen, JD; Nixon, R; White, IR, 2012)	2.19
"Linalool is a natural compound of the essential oils in several aromatic plants species."	( Anti-inflammatory effects of linalool in RAW 264.7 macrophages and lipopolysaccharide-induced lung injury model. Chi, G; Cui, X; Deng, X; Feng, H; Gao, R; Guan, S; Huo, M; Soromou, LW; Wang, D; Wei, J; Xue, J, 2013)	1.4
"Linalool is a monoterpene compound commonly found as a major component of the essential oils of several aromatic plant species, many of which are used in traditional medical systems as analgesic and anti-inflammatory remedies. "	( (-)-Linalool produces antinociception in two experimental models of pain. Chessa, ML; D'Aquila, PS; Moretti, MD; Peana, AT; Pippia, P; Serra, G, 2003)	2.32
"Linalool is a major component of essential oils and possesses various biological effects in sensory or central nervous systems. "	( Linalool suppresses voltage-gated currents in sensory neurons and cerebellar Purkinje cells. Kawai, F; Matsuzaki, K; Miyachi, E; Narusuye, K, 2005)	3.21
"Linalool is an unsaturated hydrocarbon and is therefore susceptible to oxidation in the presence of air."	( Contact allergens formed on air exposure of linalool. Identification and quantification of primary and secondary oxidation products and the effect on skin sensitization. Börje, A; Harambasic, E; Karlberg, AT; Sköld, M, 2004)	1.31
"Linalool is a major component of the essential oil of lavender."	( Investigation of the anxiolytic effects of linalool, a lavender extract, in the male Sprague-Dawley rat. Bracken, S; Ceremuga, TE; Cline, M; Flores, J; McCall, S; Taylor, JE, 2008)	1.33
"Linalool is a monoterpene compound reported to be a major component of essential oils in various aromatic species. "	( Effects of Linalool on glutamatergic system in the rat cerebral cortex. Elisabetsky, E; Marschner, J; Souza, DO, 1995)	2.12
"Linalool is a monoterpene compound reported to be a major component of essential oils in various aromatic species. "	( Linalool modifies the nicotinic receptor-ion channel kinetics at the mouse neuromuscular junction. Barocci, S; Mencarelli, A; Mosca, E; Paolucci, G; Re, L; Rinaldi, L; Scarpantonio, A; Sonnino, S; Vivani, C, 2000)	3.19
"Linalool is a monoterpene compound reported to be a major component of essential oils of several aromatic species. "	( Effects of linalool on [(3)H]MK801 and [(3)H] muscimol binding in mouse cortical membranes. Brum, LF; Elisabetsky, E; Souza, D, 2001)	2.14

Excerpt	Reference	Relevance
"Linalool has a potential future use in environmentally friendly control strategies against C. "	( Oviposition-deterrent effect of linalool - a compound of citrus essential oils - on female Mediterranean fruit flies, Ceratitis capitata (Diptera: Tephritidae). Ioannou, CS; Papadopoulos, NT; Papanastasiou, SA, 2020)	2.28
"Linalool has apoptotic and antiproliferative properties in a concentration and time-dependent manner in breast cancer cells."	( Anticancer activity of linalool: comparative investigation of ultrastructural changes and apoptosis in breast cancer cells. Baygar, T; Cavusoglu, T; Elbe, H; Ozturk, F; Yigitturk, G, 2022)	1.75
"Linalool has significant inhibitory effect on Ps. "	( Respiratory depression driven by membrane damage as a mechanism for linalool to inhibit Pseudomonas lundensis and its preservation potential for beef. Chen, H; Chen, W; He, R; Pei, J; Zhang, M; Zhong, Q, 2023)	2.59
"Linalool has a potential future use in environmentally friendly control strategies against C. "	( Oviposition-deterrent effect of linalool - a compound of citrus essential oils - on female Mediterranean fruit flies, Ceratitis capitata (Diptera: Tephritidae). Ioannou, CS; Papadopoulos, NT; Papanastasiou, SA, 2020)	2.28
"Linalool has two enantiomers, (R)-linalool and (S)-linalool. "	( Effects of inhaled (S)-linalool on hypothalamic gene expression in rats under restraint stress. Abe, K; Fujiwara, S; Kamei, A; Nakamura, A; Saito-Iizumi, K; Shinozaki, F; Watanabe, Y; Yamamoto, N, 2013)	2.14
"Linalool has proven antimicrobial and insect-repellent properties, which indicate it might be useful for control of enteropathogens or insect pests in poultry production."	( Evaluation of linalool, a natural antimicrobial and insecticidal essential oil from basil: effects on poultry. Anderson, RC; Beier, RC; Byrd, JA; Hume, ME; Kubena, LF; McReynolds, JL; Nisbet, DJ, 2014)	1.48
"Linalool has shown antioxidant properties in several studies."	( Linalool as a neuroprotective agent against acrylamide-induced neurotoxicity in Wistar rats. Hosseinzadeh, H; Mehri, S; Meshki, MA, 2015)	2.58

Excerpt	Reference	Relevance
"Linalool treatment significantly decreased the interaction between SOD2 and SIRT3."	( SIRT3-SOD2-ROS pathway is involved in linalool-induced glioma cell apoptotic death. Cheng, Y; Dai, C; Zhang, J, 2017)	1.45
"Linalool-treated 3xTg-AD mice showed improved learning and spatial memory and greater risk assessment behavior during the elevated plus maze."	( Linalool reverses neuropathological and behavioral impairments in old triple transgenic Alzheimer's mice. Cardona-Gómez, GP; Osorio, E; Sabogal-Guáqueta, AM, 2016)	2.6
"linalool treatment. Therefore, linalool may be considered as a photochemopreventive agent against UVB radiation induced skin carcinogenesis."	( The preventive effect of linalool on acute and chronic UVB-mediated skin carcinogenesis in Swiss albino mice. Balupillai, A; Govindasamy, K; Gunaseelan, S; Muthusamy, G; Prasad, NR; Ramasamy, K; Shanmugam, M, 2016)	1.46
"Treatment with linalool reduced the acquisition and reinstatement, and precipitated the extinction of ethanol-induced CPP in mice."	( Rewarding effect of ethanol-induced conditioned place preference in mice: Effect of the monoterpenoid linalool. Yunusoğlu, O, 2022)	1.28
"Treatment with linalool improved the renal function and morphological changes."	( Mechanistic Evaluation of Linalool Effect against Renal Ischemia- Reperfusion Injury in Rats. Azimian, E; Banaei, S; Golmohammadi, MG, 2021)	1.26
"Treatment of linalool increased bcl-2 expression and inhibited caspase-3 and caspase-8 expression."	( Protective effect of linalool against lipopolysaccharide/D-galactosamine-induced liver injury in mice. Huang, H; Li, J; Zhang, X, 2014)	1.07
"Treatment of linalool induced nuclear translocation of Nrf2 and expression of HO-1."	( Linalool Inhibits LPS-Induced Inflammation in BV2 Microglia Cells by Activating Nrf2. Li, Q; Li, Y; Lv, O; Wu, Z; Zheng, Y; Zhou, F, 2015)	2.21
"Treatment with linalool before each UVB-exposure significantly prevented the expression of these proliferative markers and subsequently decreased the tumor incidence in mice skin."	( The preventive effect of linalool on acute and chronic UVB-mediated skin carcinogenesis in Swiss albino mice. Balupillai, A; Govindasamy, K; Gunaseelan, S; Muthusamy, G; Prasad, NR; Ramasamy, K; Shanmugam, M, 2016)	1.08

Excerpt	Reference	Relevance
" On the basis of these data, the maternal no observed adverse effect level (NOAEL) of linalool is 500 mg/kg/day, whereas the developmental NOAEL is > or = 1000 mg/kg/day."	( Evaluation of the developmental toxicity of linalool in rats. Api, AM; Christian, MS; Diener, RM; Hoberman, AM; Lewis, EM; Politano, VT, )	0.62
" The essential oil had a significant toxic effect against early fourth-stage larvae of Aedes aegypti L with an LC(50) value of 32."	( Immunotoxicity activity of 2,6,10,15-tetrame-heptadecane from the essential oils of Clerodendron trichotomum Thunb. against Aedes aegypti L. Lee, SJ; Moon, HI, 2010)	0.36
" A simple linear regression analysis showed statistically significant relationships between the studied toxic effects and viscosity of the monoterpenoids (p < 0."	( Comparative toxicity of oxygenated monoterpenoids in experimental hydroalcoholic lotions to permethrin-resistant adult head lice. Gallardo, A; Gonzalez-Audino, P; Mougabure-Cueto, G; Picollo, MI; Toloza, A; Vassena, C, 2011)	0.37
"9 µg cm(-3) ) was the most toxic compound, followed by citronellyl acetate (16."	( Fumigant toxicity of lemon eucalyptus oil constituents to acaricide-susceptible and acaricide-resistant Tetranychus urticae. Ahn, YJ; Choi, BR; Han, J; Kim, SI; Lee, SG, 2011)	0.37
" Since EO can be applied by inhalation, dermal application and oral administration, we used several mammalian cell lines to assess safe bioactive doses."	( Myrtus communis L. as source of a bioactive and safe essential oil. Bighelli, A; Bouzabata, A; Cabral, C; Casanova, J; Cavaleiro, C; Cruz, MT; Gonçalves, MJ; Salgueiro, L; Tomi, F, 2015)	0.42
" The following subjects are discussed: composition of perfumes, contact with fragrances, diagnosing fragrance allergy, frequency of allergy, clinical picture of allergic contact dermatitis, culprit products, occupational contact dermatitis, and other adverse effects of fragrances."	( Fragrances: Contact Allergy and Other Adverse Effects. de Groot, AC, )	0.13
" Our data showed that benzene (50 µM) induced a significant increase in cytotoxicity, ROS formation, mitochondrial membrane potential (MMP) collapse, lipid peroxidation and oxidative stress while LIN with antioxidant potential reversed the toxic effects of benzene on isolated human lymphocytes."	( Linalool reverses benzene-induced cytotoxicity, oxidative stress and lysosomal/mitochondrial damages in human lymphocytes. Baghal, E; Bohlooli, S; Hashemidanesh, N; Khodaparast, F; Rezagholizadeh, L; Salimi, A, 2022)	2.16

Excerpt	Reference	Relevance
" All the pharmacokinetics parameters of LL-NLCs were better than those of LL, including Cmax (from 1915."	( Preparation, characterization and pharmacokinetic studies of linalool-loaded nanostructured lipid carriers. Firempong, CK; Shi, F; Xu, X; Zhao, Y, 2016)	0.68

Excerpt	Reference	Relevance
" The findings support the use of HS-GC/MS combined with chemometrics as a tool to identify the origin of black tea."	( Use of headspace GC/MS combined with chemometric analysis to identify the geographic origins of black tea. Cai, H; Cui, C; Hou, R; Peng, C; Yang, X; Yun, J; Zhang, S; Zhu, J, 2021)	0.62

Excerpt	Reference	Relevance
" Objective To reduce volatilization and improve bioavailability of LL, linalool-loaded nanostructured lipid carriers (LL-NLCs) were prepared."	( Preparation, characterization and pharmacokinetic studies of linalool-loaded nanostructured lipid carriers. Firempong, CK; Shi, F; Xu, X; Zhao, Y, 2016)	0.91
" However, due to its poor aqueous solubility, an efficient vehicle is needed to improve its administration and bioavailability in physiological media."	( Design, characterization and in vitro evaluation of linalool-loaded solid lipid nanoparticles as potent tool in cancer therapy. Castro, GR; de Bravo, MG; Durán, N; Islan, GA; Rodenak-Kladniew, B, 2017)	0.71

Excerpt	Relevance	Reference
" The enantioselectivity was verified by parallel dose-response curves, that of (R)-(-)-linalool shifted 1 log unit to the left of the (S)-(+)-linalool curve."	( Discrimination between enantiomers of linalool by olfactory receptor neurons in the cabbage moth Mamestra brassicae (L.). Borg-Karlson, AK; Ian, E; Mustaparta, H; Ulland, S, 2006)	0.83
" During the dosage period, mean relative feed consumption was significantly reduced by 7% and mean body weight gains were reduced by 11% at 1000 mg/kg/day."	( Evaluation of the developmental toxicity of linalool in rats. Api, AM; Christian, MS; Diener, RM; Hoberman, AM; Lewis, EM; Politano, VT, )	0.39
" All test chemicals acted fast and showed a steep dose-response relationship."	( Insecticidal activity of basil oil, trans-anethole, estragole, and linalool to adult fruit flies of Ceratitis capitata, Bactrocera dorsalis, and Bactrocera cucurbitae. Chang, CL; Cho, IK; Li, QX, 2009)	0.59
" In the acute dosing experiment, limonene and β-myrcene exposed groups demonstrated a significant decrease in locomotion, a decrease in anxiety-like behaviour, and an increase in boldness, while linalool treatment groups demonstrated only minor alterations in locomotion."	( Robust behavioural effects in response to acute, but not repeated, terpene administration in Zebrafish (Danio rerio). Hamilton, TJ; Leigh, S; Szaszkiewicz, J, 2021)	0.81
" This work sheds light on bimodal dose-response relationship exhibited by dietary phytochemicals like linalool, and it should be taken into consideration to elicit a desirable therapeutic effect."	( Biphasic effect of the dietary phytochemical linalool on angiogenesis and metastasis. Bhattacharjee, S; Biswas, I; Jana, S; Mandal, DP; Pal, P, 2022)	1.2

Product Category	Products
Pesto Margherita Pizza	1
Alimentos y bebidas de origen vegetal, Alimentos de origen vegetal, Aceites y grasas, Grasas vegetales, Productos del olivo, Aceites vegetales, Aceites de oliva	1
Other	3
Bebidas, Bebidas alcohólicas, Vinos	1
Bebidas, Bebidas alcohólicas, Vinos, Vinos tintos, Vinos de España, Rioja	1
Dessert, Alimenti surgelati, Dessert surgelati, Gelati e sorbetti, Gelato	1
Productos del mar, Conservas, Pescados, en:Fatty fishes, Conservas de pescado, Sardinas	1
Botanas, Snacks salados, Aperitivos, en:Chips and fries, Chips fritos	1
Household Essentials	41
Beauty & Personal Care	83
Baby & Kids Products	4

Product	Brand	Category	Compounds Matched from Ingredients	Date Retrieved
		Pesto Margherita Pizza	Sorbitan Monostearate	2024-02-23
A La Maison French Liquid Hand Soap - Heirloom Peach -- 16.9 fl oz	A La Maison	Household Essentials	benzyl salicylate, tocopherol, tocopherol, vitamin E, glycerin, hydroxyethylcellulose, linalool	2024-11-29 10:47:42
A La Maison French Milled Hand & Body Bar Soap Oat Milk -- 8.8 oz	A La Maison	Beauty & Personal Care	benzyl alcohol, citronellol, glycerin, linalool, titanium dioxide	2024-11-29 10:47:42
Alaffia Authentic African Black Soap All-In-One - Citrus Ginger -- 32 fl oz	Alaffia	Beauty & Personal Care	orange, citral, geraniol, limonene, linalool	2024-11-29 10:47:42
Alaffia Babies & Kids Shampoo & Body Wash Lemon Lavender -- 16 fl oz	Alaffia	Baby & Kids Products	decyl glucoside, ethylhexylglycerin, limonene, linalool, phenoxyethanol, coco-betaine	2024-11-29 10:47:42
Alaffia Everyday Coconut Face Cleanser - Purely Coconut -- 12 fl oz	Alaffia	Beauty & Personal Care	decyl glucoside, ethylhexylglycerin, glycerin, linalool, phenoxyethanol	2024-11-29 10:47:42
Alaffia Everyday Shea Conditioner - Lavender -- 32 fl oz	Alaffia	Beauty & Personal Care	cetearyl alcohol, ethylhexylglycerin, linalool, phenoxyethanol, sodium bicarbonate, stearic acid	2024-11-29 10:47:42
Alaffia Kids Bubble Bath Lemon Lavender -- 32 fl oz	Alaffia	Baby & Kids Products	decyl glucoside, ethylhexylglycerin, linalool, phenoxyethanol, coco-betaine	2024-11-29 10:47:42
Alba Botanica Natural Acnedote Invisible Treatment Gel -- 0.5 oz	Alba	Beauty & Personal Care	citral, glycerin, hydroxyethylcellulose, limonene, linalool	2024-11-29 10:47:42
Alba Botanica Natural Acnedote Oil Control Lotion -- 2 fl oz	Alba	Beauty & Personal Care	benzoic acid, cetearyl alcohol, cetyl alcohol, citral, dehydroacetic acid, glycerin, dimethicone, limonene, linalool, phenoxyethanol, potassium hydroxide	2024-11-29 10:47:42
Alba Botanica® Natural Hawaiian Shampoo Gardenia -- 12 fl oz	Alba	Beauty & Personal Care	glyceryl oleate, amyl cinnamal, citric acid, benzoic acid, benzyl alcohol, benzyl salicylate, citric acid, citronellol, cocamidopropyl betaine, dehydroacetic acid, panthenol, ethylhexylglycerin, geraniol, glycerin, hexyl cinnamal, hydroxycitronellal, hydroxyisohexyl 3-cyclohexene carboxaldehyde, linalool, phenoxyethanol, sodium benzoate, sodium sulfate	2024-11-29 10:47:42
Australian Gold Foaming Hand Soap Aloe Vera -- 7.5 fl oz	Australian Gold	Household Essentials	citric acid, methylchloroisothiazolinone, benzyl alcohol, benzyl salicylate, citric acid, coumarin, coumarin, sodium laureth sulfate, glycerin, hexyl cinnamal, linalool, magnesium nitrate, propylene glycol, coco-betaine, sodium bicarbonate, sodium sulfate, triethylene glycol	2024-11-29 10:47:42
Australian Gold Foaming Hand Soap Cocoa Dreams -- 7.5 fl oz	Australian Gold	Household Essentials	citric acid, methylchloroisothiazolinone, benzyl alcohol, benzyl benzoate, citral, citric acid, coumarin, coumarin, sodium laureth sulfate, glycerin, limonene, linalool, magnesium nitrate, propylene glycol, coco-betaine, sodium benzoate, sodium bicarbonate, sodium sulfate, triethylene glycol	2024-11-29 10:47:42
Australian Gold Foaming Hand Soap Lavender Mint -- 7.5 fl oz	Australian Gold	Household Essentials	citric acid, methylchloroisothiazolinone, benzyl alcohol, citric acid, sodium laureth sulfate, glycerin, linalool, magnesium nitrate, propylene glycol, coco-betaine, sodium benzoate, sodium bicarbonate, sodium sulfate, triethylene glycol	2024-11-29 10:47:42
Australian Gold Foaming Hand Soap Sugared Lemon -- 7.5 fl oz	Australian Gold	Household Essentials	citric acid, methylchloroisothiazolinone, alphaisomethyl ionone, benzyl alcohol, citral, citric acid, sodium laureth sulfate, glycerin, linalool, magnesium nitrate, propylene glycol, coco-betaine, sodium benzoate, sodium bicarbonate, sodium sulfate, triethylene glycol	2024-11-29 10:47:42
Australian Gold Foaming Hand Soap Sweet Apricot -- 7.5 fl oz	Australian Gold	Household Essentials	citric acid, methylchloroisothiazolinone, benzyl alcohol, benzyl benzoate, citric acid, sodium laureth sulfate, geraniol, glycerin, hexyl cinnamal, limonene, linalool, magnesium nitrate, propylene glycol, coco-betaine, sodium benzoate, sodium bicarbonate, sodium sulfate, triethylene glycol	2024-11-29 10:47:42
Australian Gold Liquid Hand Soap Aloe Vera -- 11.5 fl oz	Australian Gold	Household Essentials	citric acid, methylchloroisothiazolinone, benzyl alcohol, benzyl salicylate, citric acid, cocamidopropyl betaine, sodium laureth sulfate, disodium EDTA, glycerin, hexyl cinnamal, linalool, magnesium nitrate, propylene glycol, sodium bicarbonate, sodium sulfate, triethylene glycol	2024-11-29 10:47:42
Australian Gold Liquid Hand Soap Cocoa Dreams -- 11.5 fl oz	Australian Gold	Household Essentials	citric acid, methylchloroisothiazolinone, benzyl alcohol, citral, citric acid, cocamidopropyl betaine, coumarin, coumarin, sodium laureth sulfate, disodium EDTA, glycerin, limonene, linalool, magnesium nitrate, propylene glycol, sodium benzoate, sodium bicarbonate, sodium sulfate, triethylene glycol	2024-11-29 10:47:42
Australian Gold Liquid Hand Soap Lavender Mint -- 11.5 fl oz	Australian Gold	Household Essentials	citric acid, methylchloroisothiazolinone, benzyl alcohol, citric acid, cocamidopropyl betaine, sodium laureth sulfate, disodium EDTA, glycerin, limonene, linalool, magnesium nitrate, propylene glycol, sodium benzoate, sodium bicarbonate, sodium sulfate, triethylene glycol	2024-11-29 10:47:42
Australian Gold Liquid Hand Soap Sugared Lemon -- 11.5 fl oz	Australian Gold	Household Essentials	citric acid, methylchloroisothiazolinone, alpha-isomethyl ionone, benzyl alcohol, citral, citric acid, cocamidopropyl betaine, sodium laureth sulfate, disodium EDTA, glycerin, limonene, linalool, magnesium nitrate, propylene glycol, sodium benzoate, sodium bicarbonate, sodium sulfate, triethylene glycol	2024-11-29 10:47:42
Australian Gold Liquid Hand Soap Sweet Apricot -- 11.5 fl oz	Australian Gold	Household Essentials	citric acid, methylchloroisothiazolinone, benzyl alcohol, benzyl benzoate, citral, citric acid, citronellol, cocamidopropyl betaine, sodium laureth sulfate, disodium EDTA, geraniol, glycerin, hexyl cinnamal, limonene, linalool, magnesium nitrate, propylene glycol, sodium benzoate, sodium bicarbonate, sodium sulfate, triethylene glycol	2024-11-29 10:47:42
Australian Gold Room Spray Cocoa Dreams -- 3.7 fl oz	Australian Gold	Household Essentials	citric acid, benzyl alcohol, citral, citric acid, coumarin, coumarin, disodium EDTA, ethylhexylglycerin, glycerin, limonene, linalool, phenoxyethanol	2024-11-29 10:47:42
Australian Gold Room Spray Lavender Mint -- 3.7 fl oz	Australian Gold	Household Essentials	citric acid, citric acid, tocopherol, disodium edta, ethylhexylglycerin, tocopherol, glycerin, limonene, linalool, phenoxyethanol	2024-11-29 10:47:42
Australian Gold Room Spray Sugared Lemon -- 3.7 fl oz	Australian Gold	Household Essentials	citric acid, benzyl alcohol, citral, citric acid, tocopherol, disodium EDTA, ethylhexylglycerin, tocopherol, glycerin, limonene, linalool, phenoxyethanol	2024-11-29 10:47:42
Australian Gold Room Spray Sweet Apricot -- 3.7 fl oz	Australian Gold	Household Essentials	citric acid, benzyl benzoate, citral, citric acid, tocopherol, disodium EDTA, ethylhexylglycerin, tocopherol, geraniol, glycerin, hexyl cinnamal, limonene, linalool, phenoxyethanol	2024-11-29 10:47:42
Biokleen Dish Liquid Lavender Lily -- 25 fl oz	Biokleen	Household Essentials	cocamidopropyl betaine, decyl glucoside, lauramine oxide, glycerin, linalool, phenoxyethanol, sodium lauryl sulfate	2024-11-29 10:47:42
BioRepublic Skincare Firming Facelift Magic Moss Mask -- 0.85 fl oz	BioRepublic Skincare	Beauty & Personal Care	butylene glycol, 1,4-butanediol, ascorbyl palmitate, benzoic acid, cetearyl alcohol, cetyl palmitate, chlorphenesin, panthenol, hydroxyphenyl propamidobenzoic acid, beta-glucan, ethylhexylglycerin, glyceryl stearate, glycerin, linalool, magnolol, o-cymen-5-ol, phenoxyethanol, propylene glycol	2024-11-29 10:47:42
Cantu For Men 2-in-1 Hair & Body Wash -- 13.5 fl oz	Cantu	Beauty & Personal Care	d-limonene, citric acid, laureth-4, benzyl benzoate, caffeine, citric acid, cocamidopropyl betaine, laureth-4, ethylhexylglycerin, glyceryl stearate, glycerin, hemp, linalool, menthol, phenoxyethanol, sodium hydroxide, sodium sulfate	2024-11-29 10:47:42
Cleo+Coco Charcoal Deodorant Aluminum Free - Sweet Surrender - Lavender Vanilla -- 2.5 oz	Cleo+Coco	Beauty & Personal Care	tocopherol, triethyl citrate, tocopherol, linalool, sodium bicarbonate	2024-11-29 10:47:42
Daeng Gi Meo Ri Conditioner For All Hair Types -- 16.9 fl oz	Daeng Gi Meo Ri	Beauty & Personal Care	butylene glycol, isopropyl alcohol, citric acid, alpha-isomethyl ionone, citric acid, citronellol, cocamidopropyl betaine, disodium EDTA, ethylhexylglycerin, glycerin, hexyl cinnamal, butylphenyl methylpropional, linalool, phenoxyethanol, sodium acetate, sodium benzoate	2024-11-29 10:47:42
Daeng Gi Meo Ri Hair Loss Shampoo For Thinning Hair -- 13.5 fl oz	Daeng Gi Meo Ri	Beauty & Personal Care	citric acid, allantoin, citric acid, cocamidopropyl betaine, dexpanthenol, disodium EDTA, glycerin, butylphenyl methylpropional, linalool, niacinamide, phenoxyethanol, salicylic acid, sodium benzoate, sodium citrate	2024-11-29 10:47:42
Daeng Gi Meo Ri Hair Treatment Rice Water -- 13.5 fl oz	Daeng Gi Meo Ri	Beauty & Personal Care	butylene glycol, isopropyl alcohol, citric acid, benzyl benzoate, benzyl salicylate, cetyl alcohol, citric acid, citronellol, cyclopentasiloxane, lauryl alcohol, glutamic acid, dimethicone, butylphenyl methylpropional, linalool, myristyl alcohol, phenoxyethanol, sodium benzoate, stearyl alcohol	2024-11-29 10:47:42
Daeng Gi Meo Ri Medicinal Herb Hair Color - Black -- 1 Kit	Daeng Gi Meo Ri	Beauty & Personal Care	butylene glycol, P-aminophenol, PCA, ceteth-20, cetyl alcohol, citronellol, dioleyl phosphate, behenyl alcohol, lauryl alcohol, disodium EDTA, ethanolamine, geraniol, hexyl cinnamal, hydroxycitronellal, butylphenyl methylpropional, limon- ene, linalool, myristic acid, myristyl alcohol, oleyl alcohol, palmitic acid, palmitic acid, phenacetin, resorcinol, sodium benzoate, stearic acid, stearyl alcohol, stearyl stearate, threonine	2024-11-29 10:47:42
Daeng Gi Meo Ri Medicinal Herb Hair Color - Natural Brown -- 1 Kit	Daeng Gi Meo Ri	Beauty & Personal Care	butylene glycol, P-aminophenol, PCA, ceteth-20, cetyl alcohol, citronellol, dioleyl phosphate, behenyl alcohol, lauryl alcohol, disodium EDTA, ethanolamine, geraniol, hexyl cinnamal, hydroxycitronellal, butylphenyl methylpropional, limon- ene, linalool, myristic acid, myristyl alcohol, oleyl alcohol, palmitic acid, palmitic acid, phenacetin, resorcinol, sodium benzoate, stearic acid, stearyl alcohol, stearyl stearate, threonine	2024-11-29 10:47:42
Daeng Gi Meo Ri Shampoo For All Hair Types -- 16 fl oz	Daeng Gi Meo Ri	Beauty & Personal Care	butylene glycol, isopropyl alcohol, citric acid, alpha-isomethyl ionone, citric acid, citronellol, cocamidopropyl betaine, disodium EDTA, ethylhexylglycerin, glycerin, hexyl cinnamal, butylphenyl methylpropional, linalool, phenoxyethanol, sodium acetate, sodium benzoate	2024-11-29 10:47:42
Daeng Gi Meo Ri Shampoo For Oily Scalp -- 16.9 fl oz	Daeng Gi Meo Ri	Beauty & Personal Care	carbomer, cocamidopropyl betaine, panthenol, lauramine oxide, disodium EDTA, dimethicone, limonene, linalool, menthol, phenoxyethanol, propylene glycol, sodium benzoate, triethanolamine	2024-11-29 10:47:42
Dead Sea Naturals Cleansing Gel -- 3.4 fl oz	Dead Sea Naturals	Beauty & Personal Care	allantoin, cocamidopropyl betaine, vitamin E, ethylhexylglycerin, vitamin E, glycerin, lactic acid, linalool, phenoxyethanol	2024-11-29 10:47:42
Dead Sea Naturals Facial Cleanser -- 6.8 fl oz	Dead Sea Naturals	Beauty & Personal Care	allantoin, cocamidopropyl betaine, vitamin E, ethylhexylglycerin, vitamin E, glycerin, lactic acid, linalool, phenoxyethanol	2024-11-29 10:47:42
Dead Sea Naturals Facial Day Cream -- 1.7 fl oz	Dead Sea Naturals	Beauty & Personal Care	caprylyl glycol, alanine, allantoin, cetyl alcohol, chlorphenesin, tocopherol, tocopherol, vitamin E, glyceryl stearate, glycerin, glycine, dimethicone, hexyl cinnamal, isopropyl myristate, lactic acid, linalool, phenoxyethanol, peg-40 stearate, propanediol, sodium benzoate, urea	2024-11-29 10:47:42
Dead Sea Naturals Foot Cream -- 3.4 fl oz	Dead Sea Naturals	Beauty & Personal Care	allantoin, benzoic acid, cetearyl alcohol, tocopherol, dehydroacetic acid, ethylhexylglycerin, tocopherol, vitamin E, dimethicone, limonene, linalool, menthol, phenoxyethanol, potassium phosphate, salicylic acid, sodium benzoate	2024-11-29 10:47:42
Dead Sea Naturals Skincare Starter Kit -- 1 Kit	Dead Sea Naturals	Beauty & Personal Care	caprylyl glycol, butylene glycol, aminomethyl propanol, methylpropanediol, citric acid, ascorbyl palmitate, alanine, allantoin, ascorbyl glucoside, ascorbic acid, bisabolol, cetearyl alcohol, cetyl alcohol, cetyl palmitate, chlorphenesin, citric acid, cocamidopropyl betaine, tocopherol, panthenol, pro vitamin B5, ethylhexylglycerin, farnesol, tocopherol, vitamin E, glyceryl stearate, glycerin, glycine, dimethicone, hexyl cinnamal, hydroxyethylcellulose, pentaerythrityl tetra-di-t-butyl hydroxyhydrocinnamate, isopropyl myristate, kaolin, lactic acid, linalool, niacinamide, phenoxyethanol, peg-40 stearate, propylene glycol, salicylic acid, beta-sitosterol, sodium benzoate, sodium citrate, sodium hydroxide, sodium lactate, squalene, stearyl alcohol, trehalose, urea, zinc oxide	2024-11-29 10:47:42
Dead Sea Naturals Soothing Body Cream -- 6.8 fl oz	Dead Sea Naturals	Beauty & Personal Care	caprylyl glycol, allantoin, cetearyl alcohol, cetyl alcohol, chlorphenesin, cinnamyl alcohol, coumarin, coumarin, tocopherol, tocopherol, vitamin E, glyceryl stearate, glycerin, dimethicone, lactic acid, limonene, linalool, phenoxyethanol, PEG -40 stearate, propylene glycol, zinc oxide	2024-11-29 10:47:42
Dead Sea Naturals Soothing Hand Cream -- 3.4 fl oz	Dead Sea Naturals	Beauty & Personal Care	caprylyl glycol, ascorbyl palmitate, allantoin, cetearyl alcohol, chlorphenesin, cinnamyl alcohol, coumarin, coumarin, tocopherol, tocopherol, vitamin E, glyceryl stearate, glycerin, dimethicone, lactic acid, limonene, linalool, phenoxyethanol, PEG-40 stearate, propylene glycol, beta-sitosterol, sodium lactate, squalene, stearyl alcohol, zinc oxide	2024-11-29 10:47:42
Derma E Vitamin C No Dark Circles Perfecting Eye Cream -- 0.5 oz	Derma E	Beauty & Personal Care	orange, benzyl acetate, caffeine, citral, vitamin E, decanal, panthenol, provitamin B5, geraniol, vitamin E, glycerin, microcrystalline cellulose, kaolin, linalool, niacinamide, sorbitol, tin oxide, titanium dioxide, triheptanoin	2024-11-29 10:47:42
Desert Essence Hand and Body Lotion Bulgarian Lavender -- 8 fl oz	Desert Essence	Beauty & Personal Care	benzyl alcohol, dehydroacetic acid, geraniol, limonene, linalool, stearic acid	2024-11-29 10:47:42
ECOS Breeze Fabric & Carpet Odor Eliminator Lavender Vanilla -- 20 fl oz	ECOS	Household Essentials	citric acid, citric acid, glycerin, linalool	2024-11-29 10:47:42
ECOS Dish Soap Lavender -- 25 fl oz	ECOS	Household Essentials	citric acid, citric acid, lauramine oxide, ethylhexyl-glycerin, linalool, phenoxyethanol, coco betaine	2024-11-29 10:47:42
ECOS Hand Soap Refill Lavender -- 32 fl oz	ECOS	Household Essentials	cocamidopropyl betaine, tocopherol, tocopherol, glycerin, linalool, phenoxyethanol	2024-11-29 10:47:42
ECOS Hypoallergenic Laundry Detergent Lavender -- 100 fl oz	ECOS	Household Essentials	methylisothiazolinone, cocamidopropyl betaine, linalool, phenoxyethanol	2024-11-29 10:47:42
ECOS Laundry Detergent Sheets HE Lavender Vanilla -- 50 Loads	ECOS	Household Essentials	citric acid, saponins, citric acid, cocamidopropyl betaine, coumarin, coumarin, triethyl citrate, glycerin, dimethicone, Kaolin, linalool, phenoxyethanol, propylene glycol, sodium citrate, sodium lauryl sulfate	2024-11-29 10:47:42
Ecover Dish Soap Pink Geranium -- 25 oz	Ecover	Household Essentials	citric acid, citric acid, glycerin, linalool, sodium citrate, sodium lauryl sulfate	2024-11-29 10:47:42
Ecover Natural Fabric Softener Morning Fresh -- 32 fl oz	Ecover	Household Essentials	linalool, sorbic acid	2024-11-29 10:47:42
EOS Ultra Moisturizing Shave Cream Pomegranate Raspberry -- 7 fl oz	EOS	Beauty & Personal Care	ascorbyl palmitate, red 40, carbomer, cetyl alcohol, disodium EDTA, glyceryl stearate, glycerin, dimethicone, hexyl cinnamal, butylphenyl methylpropional, linalool, oat, glycol stearate, propylene glycol, sodium benzoate, stearic acid, titanium dioxide, triethanolamine	2024-11-29 10:47:42
Every Man Jack 2-In-1 Shampoo + Conditioner - Sandalwood -- 13.5 fl oz	Every Man Jack	Beauty & Personal Care	chamomile, cocoamidopropyl betaine, decyl glucoside, panthenol, glycerin, butylphenyl methylpropional, limonene, linalool, glycol stearate	2024-11-29 10:47:42
Every Man Jack 2-In-1 Shampoo + Conditioner - Sea Salt -- 13.5 fl oz	Every Man Jack	Beauty & Personal Care	geranium, citric acid, citric acid, cocamidopropyl betaine, decyl glucoside, panthenol, ethylhexylglycerin, glycerin, linalool, vitamin B5, phenoxyethanol, glycol stearate, sodium benzoate	2024-11-29 10:47:42
Every Man Jack 3 in 1 All Over Wash - Sea Salt -- 32 fl oz	Every Man Jack	Beauty & Personal Care	glycerol distearate, chamomile, cocamidopropyl betaine, decyl glucoside, ethylhexylglycerin, glycerin, linalool, phenoxyethanol, sodium lauroyl sarcosinate, sodium benzoate	2024-11-29 10:47:42
Every Man Jack 3-In-1 All Over Wash - Sandalwood -- 32 fl oz	Every Man Jack	Beauty & Personal Care	glycerol distearate, chamomile, cocamidopropyl betaine, decyl glucoside, ethylhexylglycerin, glycerin, linalool, phenoxyethanol, sodium lauroyl sarcosinate, sodium benzoate	2024-11-29 10:47:42
Every Man Jack Beard + Face Lotion Sandalwood -- 3.2 fl oz	Every Man Jack	Beauty & Personal Care	decyl glucoside, ethylhexylglycerin, glycerin, limonene, linalool, serine, sodium benzoate, threonine	2024-11-29 10:47:42
Every Man Jack Beard + Face Wash - Sandalwood -- 6.7 fl oz	Every Man Jack	Beauty & Personal Care	glyceryl oleate, bisabolol, cocoamidopropyl betaine, decyl glucoside, ethylhexylglycerin, glycerin, linalool, phenoxyethanol, sodium benzoate	2024-11-29 10:47:42
Every Man Jack Beard + Face Wash - Sea Salt -- 6.7 oz	Every Man Jack	Beauty & Personal Care	glyceryl oleate, benzyl salicylate, citronellol, cocamidopropyl betaine, decyl glucoside, ethylhexylglycerin, glycerin, linalool, phenoxyethanol, sodium benzoate	2024-11-29 10:47:42
Every Man Jack Beard Butter - Sandalwood -- 4 oz	Every Man Jack	Beauty & Personal Care	glyceryl dilaurate, cetyl alcohol, dehydroacetic acid, panthenol, glycerin, linalool, stearyl alcohol	2024-11-29 10:47:42
Every Man Jack Beard Butter - Sea Salt -- 4 oz	Every Man Jack	Beauty & Personal Care	glyceryl dilaurate, benzyl alcohol, benzyl salicylate, cetyl alcohol, citronellol, dehydroacetic acid, glycerin, limonene, linalool, stearyl alcohol	2024-11-29 10:47:42
Every Man Jack Beard Oil - Sea Salt -- 1 fl oz	Every Man Jack	Beauty & Personal Care	benzyl salicylate, citronellol, linalool	2024-11-29 10:47:42
Every Man Jack Body Wash and Shower Gel - Crimson Oak -- 16.9 fl oz	Every Man Jack	Beauty & Personal Care	citric acid, citric acid, lauramidopropyl betaine, coumarin, coumarin, ethylhexylglycerin, glycerin, linalool, trisodium ethylenediamine disuccinate, phenoxyethanol, sodium benzoate	2024-11-29 10:47:42
Every Man Jack Body Wash and Shower Gel - Sea Salt -- 16.9 fl oz	Every Man Jack	Beauty & Personal Care	orange, cocamidopropyl betaine, decyl glucoside, ethylhexylglycerin, glycerol monostearate, glycerin, linalool, phenoxyethanol, sodium lauroyl sarcosinate, sodium benzoate	2024-11-29 10:47:42
Every Man Jack Deodorant Aluminum Free - Cedarwood -- 3 oz	Every Man Jack	Beauty & Personal Care	caprylyl glycol, cetyl alcohol, lilial, limonene, linalool, Propanediol	2024-11-29 10:47:42
Fairy Tales Lice Prevention Rosemary Repel Shampoo -- 12 fl oz	Fairy Tales	Baby & Kids Products	amyl cinnamal, citric acid, benzyl alcohol, benzyl benzoate, benzyl salicylate, citric acid, citronella, cocamidopropyl betaine, decyl glucoside, dehydroacetic acid, lilial, limonene, linalool, benzophenone-4	2024-11-29 10:47:42
Fairy Tales Lice Prevention Rosemary Repel Shampoo -- 32 fl oz	Fairy Tales	Baby & Kids Products	orange, amyl cinnamal, citric acid, benzyl alcohol, benzyl benzoate, benzyl salicylate, citric acid, citronella, cocamidopropyl betaine, decyl glucoside, dehydroacetic acid, lilial, limonene, linalool, benzophenone-4	2024-11-29 10:47:42
Flower Essence Self Heal Skin Creme -- 4 fl oz	Flower Essence	Beauty & Personal Care	d-limonene, orange, cetyl alcohol, tocopherol, tocopherol, vitaminE, glycerin, linalool, totarol	2024-11-29 10:47:42
GrabGreen Classic Dryer Sheets Vetiver -- 80 Sheets	GrabGreen	Household Essentials	cellulose, coumarin, coumarin, hexyl cinnamal, hydroxyisohexyl 3-cyclohexene carboxaldehyde, butylphenyl methylpropional, limonene, linalool	2024-11-29 10:47:42
Hand in Hand Bar Soap Sea Salt -- 5 oz	Hand in Hand	Beauty & Personal Care	sodium gluconate, glycerin, limonene, linalool, sodium citrate, titanium dioxide	2024-11-29 10:47:42
Hempz Herbal Body Moisturizer Exotic Green Tea & Asian Pear -- 17 fl oz	Hempz	Beauty & Personal Care	butylene glycol, aminomethyl propanol, ascorbic acid, carbomer, cetyl alcohol, tocopherol, disodium EDTA, CI 42053, tocopherol, geraniol, glyceryl stearate, glycerin, dimethicone, hexyl cinnamal, nylon-12, limonene, linalool, phenoxyethanol, propanediol, retinyl palmitate, sodium benzoate, stearic acid	2024-11-29 10:47:42
Hempz Herbal Body Moisturizer Sweet Pineapple & Honey Melon -- 17 fl oz	Hempz	Beauty & Personal Care	butylene glycol, aminomethyl propanol, citric acid, red 40, ascorbic acid, benzyl benzoate, carbomer, cetyl alcohol, chlorphenesin, citric acid, tocopherol, disodium EDTA, ethylhexylglycerin, tocopherol, glyceryl stearate, glycerin, dimethicone, isopropyl palmitate, nylon-12, limonene, linalool, phenoxyethanol, propanediol, retinyl palmitate, stearic acid, yellow 5	2024-11-29 10:47:42
Hempz Herbal Body Moisturizer with Ceramides + B3 - Cucumber Aloe -- 17 fl oz	Hempz	Beauty & Personal Care	butylene glycol, aminomethyl propanol, citric acid, ascorbic acid, benzyl benzoate, carbomer, ceramide NP, cetyl alcohol, chlorophenesin, citric acid, tocopherol, ethylhexylglycerin, tocopherol, glyceryl stearate, glycerin, dimethicone, hydroxycitronellal, isopropyl palmitate, nylon-12, limonene, linalool, trisodium ethylenediamine disuccinate, niacinamide, phenoxyethanol, propanediol, retinyl palmitate, stearic acid	2024-11-29 10:47:42
Hempz Herbal Body Moisturizer with Hyaluronic Acid - Ocean Breeze -- 17 fl oz	Hempz	Beauty & Personal Care	butylene glycol, aminomethyl propanol, orange, citric acid, ascorbic acid, benzyl benzoate, carbomer, cetyl alcohol, chlorphenesin, citral, citric acid, tocopherol, ethylhexylglycerin, tocopherol, glyceryl stearate, glycerin, dimethicone, isopropyl palmitate, nylon-12, limonene, linalool, trisodium ethylenediamine disuccinate, phenoxyethanol, propanediol, retinyl palmitate, stearic acid, cyanocobalamin	2024-11-29 10:47:42
Hempz Herbal Body Moisturizer with Vitamin C - Citrus Blossom -- 17 fl oz	Hempz	Beauty & Personal Care	butylene glycol, aminomethyl propanol, orange, citric acid, ascorbic acid, benzyl benzoate, carbomer, cetyl alcohol, chlorphenesin, citral, citric acid, tocopherol, ethylhexylglycerin, tocopherol, glyceryl stearate, glycerin, dimethicone, isopropyl palmitate, nylon-12, limonene, linalool, trisodium ethylenediamine disuccinate, phenoxyethanol, propanediol, retinyl palmitate, stearic acid, cyanocobalamin	2024-11-29 10:47:42
Hempz Triple Moisture Herbal Conditioner Fresh Citrus -- 17 fl oz	Hempz	Beauty & Personal Care	iodopropynyl butylcarbamate, citric acid, acetic acid, benzyl benzoate, cetearyl alcohol, cetyl alcohol, chlorphenesin, citric acid, tocopherol, panthenol, disodium EDTA, etidronic acid, tocopherol, glycerin, PEG-4, dimethicone, hydroxyethylcellulose, limonene, linalool, octyldodecanol, phenoxyethanol, sodium acetate, sodium benzoate, stearyl alcohol	2024-11-29 10:47:42
Hempz Triple Moisture Herbal Shampoo Fresh Citrus -- 17 fl oz	Hempz	Beauty & Personal Care	aminomethyl propanol, citric acid, benzoic acid, citric acid, cocamidopropyl betaine, tocopherol, disodium EDTA, ethylhexylglycerin, tocopherol, glycerin, limonene, linalool, phenoxyethanol, sodium benzoate, sodium hydroxide	2024-11-29 10:47:42
Hempz Triple Moisture Herbal Whipped Body Creme -- 17 fl oz	Hempz	Beauty & Personal Care	aminomethyl propanol, methylpropanediol, amyl cinnamal, ascorbic acid, benzyl benzoate, carbomer, cetearyl alcohol, tocopherol, cyclopentasiloxane, tocopherol, glycerin, dimethicone, hexyl cinnamal, limonene, linalool, trisodium ethylenediamine disuccinate, phenoxyethanol, propanediol, retinyl palmitate	2024-11-29 10:47:42
Humble Brands Deodorant Plastic Free Bergamot & Ginger -- 2.65 oz	Humble Brands	Beauty & Personal Care	MCT, citral, citronellol, MCT, linalool, sodium bicarbonate	2024-11-29 10:47:42
Humble Brands Deodorant Plastic Free Patchouli & Copal -- 2.65 oz	Humble Brands	Beauty & Personal Care	MCT, MCT, linalool, sodium bicarbonate	2024-11-29 10:47:42
Humble Brands Deodorant Vegan & Sensitive Skin Formula Bergamot & Ginger -- 2.5 oz	Humble Brands	Beauty & Personal Care	MCT, citral, geraniol, MCT, linalool	2024-11-29 10:47:42
Humble Brands Deodorant Vegan & Sensitive Skin Formula Patchouli & Copal -- 2.5 oz	Humble Brands	Beauty & Personal Care	MCT, MCT, linalool	2024-11-29 10:47:42
Ingredients Matter Laundry Soap Powder 30 Loads Lavender -- 15 oz	Ingredients Matter	Household Essentials	citric acid, citric acid, triethyl citrate, sodium gluconate, glycerin, linalool, sodium bicarbonate, sodium carbonate, vanillin	2024-11-29 10:47:42
Ingredients Matter Laundry Soap Powder 60 Loads Lavender -- 30 oz	Ingredients Matter	Household Essentials	citric acid, citric acid, triethyl citrate, sodium gluconate, glycerin, linalool, sodium bicarbonate, sodium carbonate, vanillin	2024-11-29 10:47:42
Jason Anti-Dandruff Scalp Care Shampoo -- 12 fl oz	Jason	Beauty & Personal Care	benzyl alcohol, camphor, cetyl alcohol, triethyl citrate, glycerin, linalool, maltodextrin, menthol, methyl salicylate, palmitic acid, palmitic acid, potassium hydroxide, stearic acid	2024-11-29 10:47:42
Jason Body Wash Calming Lavender -- 16 fl oz	Jason	Beauty & Personal Care	citric acid, allantoin, benzyl alcohol, citral, citric acid, panthenol, glyceryl stearate, glycerin, limonene, linalool, sodium benzoate, stearic acid	2024-11-29 10:47:42
Jason Body Wash Moisturizing Herbs & Shea Butter -- 30 fl oz	Jason	Beauty & Personal Care	citric acid, benzoic acid, benzyl alcohol, benzyl benzoate, citral, citric acid, citronellol, cocamidopropyl betaine, golden seal, glycerin, hexyl cinnamal, limonene, linalool, sodium benzoate, sodium sulfate	2024-11-29 10:47:42
Jason C Effects Powered By Ester-C Creme -- 2 oz	Jason	Beauty & Personal Care	allantoin, alpha-isomethyl ionone, benzyl alcohol, benzyl benzoate, benzyl salicylate, gluconolactone, bisabolol, calcium ascorbate, cetearyl alcohol, cetyl alcohol, cinnamyl alcohol, citral, coumarin, coumarin, panthenol, glycerin, dimethicone, hexyl cinnamal, hydroxyisohexyl 3-cyclohexene carboxaldehyde, calcium carbonate, limonene, linalool, phenoxyethanol, potassium hydroxide, sodium benzoate, stearic acid, thioctic acid	2024-11-29 10:47:42
Jason Dandruff Relief 2 in1 Shampoo + Conditioner -- 12 fl oz	Jason	Beauty & Personal Care	glyceryl oleate, orange, citric acid, terpineol, benzylacetate, cetyl alcohol, citric acid, triethyl citrate, glycerin, limonene, linalool, maltodextrin, phenethyl alcohol, sodium cocoyl glutamate, sodium hydroxide, zinc carbonate	2024-11-29 10:47:42
Jason Deodorant Stick Calming Lavender -- 2.5 oz	Jason	Beauty & Personal Care	allantoin, benzyl benzoate, citral, behenyl alcohol, ethylhexylglycerin, glyceryl stearate, glycerin, hydroxycitronellal, butylphenyl methylpropional, limonene, linalool, sodium bicarbonate	2024-11-29 10:47:42
Jason Dry Spray Deodorant Fresh Cucumber -- 3.2 fl oz	Jason	Beauty & Personal Care	ethylhexylglycerin, geraniol, glycerin, limonene, linalool	2024-11-29 10:47:42
Jason Dry Spray Deodorant Soft Rose -- 3.2 fl oz	Jason	Beauty & Personal Care	citronellol, triethyl citrate, ethylhexylglycerin, geraniol, glycerin, limonene, linalool	2024-11-29 10:47:42
Jason Soothing 98% Aloe Vera Moisturizing Gel -- 4 oz	Jason	Beauty & Personal Care	amyl cinnamal, allantoin, arginine, benzyl benzoate, benzyl salicylate, gluconolactone, carbomer, panthenol, glycerin, hexyl cinnamal, limonene, linalool, menthol, phenoxyethanol, potassium hydroxide, sodium benzoate	2024-11-29 10:47:42
Jason Vitamin E Skin Oil -- 14000 IU - 1 fl oz	Jason	Beauty & Personal Care	benzyl benzoate, benzyl salicylate, citronellol, geraniol, limonene, linalool	2024-11-29 10:47:42
Kiss My Face De-Stress Bar Soap - Orange + Grapefruit	Kiss My Face	Beauty & Personal Care	citral, geraniol, glycerin, hemp, limonene, linalool, ashwagandha, withania somnifera	2024-11-29 10:47:42
Kiss My Face Goat Milk Bar Soap Rose + Magnolia -- 5 oz	Kiss My Face	Beauty & Personal Care	citronellol, geraniol, glycerin, limonene, linalool, maltodextrin, sodium benzoate	2024-11-29 10:47:42
Lemi Shine Garbage Disposal Cleaner Fresh Lemon -- 2 Pods	Lemi Shine	Household Essentials	d-limonene, isopropyl alcohol, citric acid, citral, citric acid, geraniol, linalool, sodium bicarbonate, sodium carbonate, sodium lauryl sulfate	2024-11-29 10:47:42
Lemi Shine Washing Machine Cleaner Single Use Lemon -- 1.76 oz	Lemi Shine	Household Essentials	D-limonene, citral, geraniol, linalool, sodium bicarbonate	2024-11-29 10:47:42
Love Beauty and Planet Soothe & Serene Argan Oil & Lavender Hand Lotion -- 1 fl oz	Love Beauty and Planet	Beauty & Personal Care	Caprylyl Glycol, BHT, Carbomer, Citronellol, Coumarin, Coumarin, Disodium EDTA, Hydroxycitronellal, Hydroxyethylcellulose, Limonene, Linalool, Phenoxyethanol, Triethanolamine	2024-11-29 10:47:42
Method Bathroom Cleaner Natural Tub + Tile Cleaner Eucalyptus Mint -- 28 fl oz	Method	Household Essentials	methylisothiazolinone, citral, linalool	2024-11-29 10:47:42
Method Dish Soap Refill Clementine -- 54 fl oz	Method	Household Essentials	methylisothiazolinone, citric acid, methylchloroisothiazolinone, citric acid, decyl glucoside, lauramine oxide, glycerin, limonene, linalool, sodium lauryl sulfate	2024-11-29 10:47:42
Method Dryer Sheets - Fresh Air -- 80 Sheets	Method	Household Essentials	coumarin, coumarin, linalool	2024-11-29 10:47:42
Method Dryer Sheets - Ginger Mango -- 80 Sheets	Method	Household Essentials	citronellol, hexyl cinnamal, butylphenyl methylpropional, limonene, linalool	2024-11-29 10:47:42
Method Foaming Hand Wash Refill French Lavender -- 28 fl oz	Method	Household Essentials	methylisothiazolinone, methylchloroisothiazolinone, vitamin E, vitamin E, linalool	2024-11-29 10:47:42
Method Foaming Hand Wash Refill Pink Grapefruit -- 28 fl oz	Method	Household Essentials	methylisothiazolinone, methylchloroisothiazolinone, vitamin E, red 33, vitamin E, hexyl cinnamic aldehyde, limonene, linalool	2024-11-29 10:47:42
Method Gel Hand Wash Refill - French Lavender -- 34 fl oz	Method	Household Essentials	methylisothiazolinone, methylchloroisothiazolinone, vitamin e, vitamin e, linalool	2024-11-29 10:47:42
Method Gel Hand Wash Refill - Pink Grapefruit -- 34 fl oz	Method	Household Essentials	methylisothiazolinone, methylchloroisothiazolinone, vitamin E, red 33, vitamin E, hexyl cinnamic aldehyde, limonene, linalool	2024-11-29 10:47:42
Method Gel Hand Wash Refill - Sea Minerals -- 34 fl oz	Method	Household Essentials	methylisothiazolinone, methylchloroisothiazolinone, vitamin E, vitamin E, hexyl cinnamal, linalool	2024-11-29 10:47:42
Method Squirt and Mop Wood Floor Cleaner Spearmint Sage -- 25 fl oz	Method	Household Essentials	methylisothiazolinone, linalool, phenoxyethanol	2024-11-29 10:47:42
Mill Creek Amazon Organics™ Volumizing Shampoo Lavender and Lemongrass -- 12 fl oz	Mill Creek	Beauty & Personal Care	citric acid, chamomile, benzoic acid, biotin, citral, citric acid, decyl glucoside, panthenol, geraniol, kava, linalool	2024-11-29 10:47:42
MyChelle Dermaceuticals Hydrate Ultra Hyaluronic Hydration Cream -- 1 fl oz	MyChelle Dermaceuticals	Beauty & Personal Care	Orange, Citric Acid, Benzyl Alcohol, Ceramide NP, Citric Acid, Basil, Sodium Gluconate, Glycerin, Limonene, Linalool, O-cymen-5-OL, Squalane	2024-11-29 10:47:42
MyChelle Dermaceuticals Illuminating Peptide-Rich Whipped Moisturizer -- 1 oz	MyChelle Dermaceuticals	Beauty & Personal Care	d-alpha, butylene glycol, orange, citric acid, allantoin, terpineol, benzyl alcohol, camphor, carbomer, cetyl alcohol, citral, citric acid, triethyl citrate, geraniol, glycerin, limonene, linalool, linalyl acetate, palmitic acid, palmitic acid, potassium hydroxide, sodium hydroxide, stearic acid, titanium dioxide, vanillin	2024-11-29 10:47:42
NutriBiotic Skin Serum -- 1 fl oz	NutriBiotic	Beauty & Personal Care	ascorbyl palmitate, CoQ10, tocopherol, DMAE, tocopherol, glycerin, imidazolidinyl urea, linalool, linoleic acid, mannitol, methylparaben, phenoxyethanol, propylparaben, retinyl palmitate, betasitosterol, sodium metabisulfite, alpha lipoic acid, tocotrienol, ubiquinone	2024-11-29 10:47:42
Seventh Generation Dish Liquid Soap Rejuvenate - Yuzu Basil with Phytogaia -- 19 fl oz	Seventh Generation	Household Essentials	methylisothiazolinone, orange, citric acid, citral, citric acid, citronellol, decyl glucoside, lauramine oxide, eucalyptol, glycerin, linalool, raspberry ketone, sodium lauryl sulfate, gamma-undecalactone	2024-11-29 10:47:42
Seventh Generation Fabric Softener Dryer Sheets Fresh Lavender -- 80 Sheets	Seventh Generation	Household Essentials	citronella, geraniol, linalool	2024-11-29 10:47:42
Seventh Generation Granite Cleaner Spray Mandarin Orchard -- 23 fl oz	Seventh Generation	Household Essentials	citric acid, citral, citric acid, citronellol, gamma-decalactone, laureth-6, linalool, sodium citrate	2024-11-29 10:47:42
The Honey Pot Anti-Itch Vulva Cream -- 1 fl oz	The Honey Pot	Beauty & Personal Care	caprylyl glyceryl ether, citric acid, ethoxydiglycol, cetearyl alcohol, cetyl alcohol, citric acid, glyceryl stearate, hydroxyethylcellulose, limonene, linalool, myristyl alcohol, propanediol, sodium benzoate, stearic acid, stearyl alcohol	2024-11-29 10:47:42
The Honey Pot Feminine Foaming Wash - Bergamot Rose -- 5.5 fl oz	The Honey Pot	Beauty & Personal Care	citric acid, benzyl salicylate, citral, citric acid, citronellol, cocamidopropyl betaine, coumarin, coumarin, tocopherol, ethylhexylglycerin, tocopherol, geraniol, glycerin, hexyl cinnamal, hydroxycitronellal, lactic acid, limonene, linalool, phenoxyethanol, propylene glycol, sodium benzoate	2024-11-29 10:47:42
The Honey Pot Feminine Foaming Wash - Cucumber Aloe -- 5.51 fl oz	The Honey Pot	Beauty & Personal Care	amyl cinnamal, citric acid, benzyl benzoate, benzyl salicylate, citral, citric acid, cocamidopropyl betaine, tocopherol, ethylhexylglycerin, farnesol, tocopherol, geraniol, glycerin, hydroxycitronellal, lactic acid, limonene, linalool, phenoxyethanol, propylene glycol	2024-11-29 10:47:42
The Honey Pot Feminine Foaming Wash - Normal -- 5.51 fl oz	The Honey Pot	Beauty & Personal Care	citric acid, citric acid, cocamidopropyl betaine, tocopherol, ethylhexylglycerin, tocopherol, geraniol, glycerin, lactic acid, limonene, linalool, phenoxyethanol, propylene glycol, sodium benzoate	2024-11-29 10:47:42
The Honey Pot Feminine Foaming Wash Prebiotic -- 5.51 fl oz	The Honey Pot	Beauty & Personal Care	citric acid, benzoic acid, citric acid, cocamidopropyl betaine, tocopherol, fructose, tocopherol, glycerin, lactic acid, linalool, trisodium ethylenediamine disuccinate, propylene glycol, sodium benzoate, sodium hydroxide	2024-11-29 10:47:42
The Organic Skin Co Coming Up Roses Exfoliating Mask Rose and Bamboo -- 2 fl oz	The Organic Skin Co	Beauty & Personal Care	cetearyl alcohol, citral, geraniol, glyceryl stearate, glycerine, linalool	2024-11-29 10:47:42
The Organic Skin Co Set The Tone Hydrating Rose Mist Toner -- 3.5 fl oz	The Organic Skin Co	Beauty & Personal Care	citral, and, geraniol, linalool	2024-11-29 10:47:42
The Seaweed Bath Co Firming Body Cream - Orange Cedar -- 6 fl oz	The Seaweed Bath Co	Beauty & Personal Care	orange, phenyl ethyl acetate, allantoin, benzyl alcohol, carbomer, citronellol, tocopherol, gamma decalactone, dehydroacetic acid, panthenol, triethyl citrate, tocopherol, glyceryl stearate, glycerin, linalool, linalyl acetate, vitamin B-5, stearic acid, stearyl alcohol, tromethamine	2024-11-29 10:47:42
Weleda Pampering Body Lotion -- 6.8 fl oz	Weleda	Beauty & Personal Care	betaine, cetearyl alcohol, citral, citronellol, tocopherol, tocopherol, geraniol, glycerin, lactic acid, limonene, linalool, glyceryl caprylate	2024-11-29 10:47:42
Weleda Skin Food Face Care Nourishing Day Cream -- 1 fl oz	Weleda	Beauty & Personal Care	benzyl benzoate, betaine, citral, tocopherol, behenyl alcohol, tocopherol, geraniol, glycerin, hectorite, lactate, limonene, linalool, glyceryl caprylate, palmitic acid, palmitic acid, squalane, stearic acid	2024-11-29 10:47:42
Weleda Skin Food Face Care Nourishing Night Cream -- 1.3 fl oz	Weleda	Beauty & Personal Care	benzyl benzoate, betaine, citral, clay, tocopherol, behenyl alcohol, tocopherol, glycerin, lactate, limonene, linalool, glyceryl caprylate, squalane	2024-11-29 10:47:42
Weleda Skin Food Face Care Nourishing Oil-To-Milk Cleanser -- 2.5 fl oz	Weleda	Beauty & Personal Care	benzyl benzoate, betaine, citral, geraniol, glycerin, limonene, linalool	2024-11-29 10:47:42

Role	Description
plant metabolite	Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
volatile oil component	Any plant metabolite that is found naturally as a component of a volatile oil.
antimicrobial agent	A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
fragrance	A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
monoterpenoid	Any terpenoid derived from a monoterpene. The term includes compounds in which the C10 skeleton of the parent monoterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups).
tertiary alcohol	A tertiary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has three other carbon atoms attached to it.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Pathway	Proteins	Compounds
Olfactory Signaling Pathway	80	28
Sensory Perception	215	68
tea aroma glycosidic precursor bioactivation	1	16

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, Beta-lactamase	Escherichia coli K-12	Potency	22.3872	0.0447	17.8581	100.0000	AID485294
RAR-related orphan receptor gamma	Mus musculus (house mouse)	Potency	9.5803	0.0060	38.0041	19,952.5996	AID1159521
retinoic acid nuclear receptor alpha variant 1	Homo sapiens (human)	Potency	37.5164	0.0030	41.6115	22,387.1992	AID1159552; AID1159555
retinoid X nuclear receptor alpha	Homo sapiens (human)	Potency	29.4558	0.0008	17.5051	59.3239	AID1159527; AID1159531
pregnane X nuclear receptor	Homo sapiens (human)	Potency	50.1187	0.0054	28.0263	1,258.9301	AID720659
vitamin D (1,25- dihydroxyvitamin D3) receptor	Homo sapiens (human)	Potency	43.6465	0.0237	23.2282	63.5986	AID743223
chromobox protein homolog 1	Homo sapiens (human)	Potency	89.1251	0.0060	26.1688	89.1251	AID540317
thyroid hormone receptor beta isoform a	Homo sapiens (human)	Potency	4.4668	0.0100	39.5371	1,122.0200	AID588545
importin subunit beta-1 isoform 1	Homo sapiens (human)	Potency	125.8920	5.8048	36.1306	65.1308	AID540263
snurportin-1	Homo sapiens (human)	Potency	125.8920	5.8048	36.1306	65.1308	AID540263
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
5-hydroxytryptamine receptor 3A	Homo sapiens (human)	IC50 (µMol)	141.2540	0.0001	1.0789	9.0000	AID1387996
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
serotonin receptor signaling pathway	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
monoatomic ion transmembrane transport	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
excitatory postsynaptic potential	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
inorganic cation transmembrane transport	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
regulation of presynaptic membrane potential	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
chemical synaptic transmission	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
regulation of membrane potential	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
protein binding	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
serotonin-gated monoatomic cation channel activity	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
identical protein binding	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
serotonin binding	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
ligand-gated monoatomic ion channel activity involved in regulation of presynaptic membrane potential	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
excitatory extracellular ligand-gated monoatomic ion channel activity	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
plasma membrane	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
cleavage furrow	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
postsynaptic membrane	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
serotonin-activated cation-selective channel complex	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
synapse	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
transmembrane transporter complex	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
neuron projection	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1112517	Toxicity to Musca domestica (house fly) applied to pronotum assessed as compound level per fly causing insect mortality measured after 24 hr	2012	Pest management science, Aug, Volume: 68, Issue:8	Quantitative structure-activity relationships of monoterpenoid binding activities to the housefly GABA receptor.
AID338299	Acaricidal activity against Psoroptes cuniculi at 0.125% dilution in physiological saline after 48 hrs by direct contact assay	1995	Journal of natural products, Aug, Volume: 58, Issue:8	Structure/activity relationship of some natural monoterpenes as acaricides against Psoroptes cuniculi.
AID334997	Antimicrobial activity against Saccharomyces cerevisiae ATCC 7754 after 2 days by twofold serial broth dilution method	1992	Journal of natural products, May, Volume: 55, Issue:5	Antimicrobial agents from Licaria puchuri-major and their synergistic effect with polygodial.
AID1101968	Antifungal activity against Fusarium oxysporum f. sp. dianthi after 4 days	2002	Journal of agricultural and food chemistry, Nov-06, Volume: 50, Issue:23	Composition and antifungal activity on soil-borne pathogens of the essential oil of Salvia sclarea from Greece.
AID624606	Specific activity of expressed human recombinant UGT1A1	2000	Annual review of pharmacology and toxicology, , Volume: 40	Human UDP-glucuronosyltransferases: metabolism, expression, and disease.
AID659295	Antimycoplasmal activity against Mycoplasma hominis PG21 after 24 to 48 hrs by broth microdilution method	2012	European journal of medicinal chemistry, Jun, Volume: 52	In vitro antimycoplasmal activity of Citrus bergamia essential oil and its major components.
AID338301	Acaricidal activity against Psoroptes cuniculi at 3 uL after 24 hrs by inhalation assay	1995	Journal of natural products, Aug, Volume: 58, Issue:8	Structure/activity relationship of some natural monoterpenes as acaricides against Psoroptes cuniculi.
AID659296	Antimycoplasmal activity against Mycoplasma fermentans Pg18 after 24 to 48 hrs by broth microdilution method	2012	European journal of medicinal chemistry, Jun, Volume: 52	In vitro antimycoplasmal activity of Citrus bergamia essential oil and its major components.
AID1102916	Antimicrobial activity against Salmonella enterica subsp. enterica serovar Typhimurium ATCC 14028 assessed as growth inhibition rate at 3.8 mg/l after 72 hr by spectrophotometry	2004	Journal of agricultural and food chemistry, Feb-25, Volume: 52, Issue:4	Volatile constituents from the leaves of Callicarpa japonica Thunb. and their antibacterial activities.
AID1090482	Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 1500 ug/mL measured after 5 days of cultivation	2006	Journal of agricultural and food chemistry, May-31, Volume: 54, Issue:11	Antifungal activities of major tea leaf volatile constituents toward Colletorichum camelliae Massea.
AID1090480	Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth measured after 5 days of cultivation	2006	Journal of agricultural and food chemistry, May-31, Volume: 54, Issue:11	Antifungal activities of major tea leaf volatile constituents toward Colletorichum camelliae Massea.
AID302172	Antifungal activity against Candida albicans ATCC 90028 after 48 hrs	2007	Bioorganic & medicinal chemistry letters, Nov-15, Volume: 17, Issue:22	Modifications of the chemical structure of terpenes in antiplasmodial and antifungal drug research.
AID334992	Antimicrobial activity against Staphylococcus aureus ATCC 12598 after 2 days by twofold serial broth dilution method	1992	Journal of natural products, May, Volume: 55, Issue:5	Antimicrobial agents from Licaria puchuri-major and their synergistic effect with polygodial.
AID555331	Effect on growth in Staphylococcus aureus MN8 at 0.75 mM after 24 hrs (Rvb = 100%)	2009	Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5	Surfactants, aromatic and isoprenoid compounds, and fatty acid biosynthesis inhibitors suppress Staphylococcus aureus production of toxic shock syndrome toxin 1.
AID1112518	Displacement of [3H]TBOB binding to GABA receptor in Musca domestica (house fly) heads homogenates assessed as [3H]TBOB binding at 500 uM incubated for 90 min by scintillation counting method	2012	Pest management science, Aug, Volume: 68, Issue:8	Quantitative structure-activity relationships of monoterpenoid binding activities to the housefly GABA receptor.
AID1102450	Fungitoxicity against Colletotrichum gloeosporioides assessed as mycelial growth inhibition by poisoned food technique	2003	Journal of agricultural and food chemistry, Aug-27, Volume: 51, Issue:18	Quantitative structure-fungitoxicity relationships of some monohydric alcohols.
AID1111946	Insecticidal activity against acaricide-susceptible female Tetranychus urticae KST (two-spotted spider mite) in kidney bean assessed as mortality in 3 cm disks measured after 24 hr exposure by vapour-phase mortality bioassay	2011	Pest management science, Dec, Volume: 67, Issue:12	Fumigant toxicity of lemon eucalyptus oil constituents to acaricide-susceptible and acaricide-resistant Tetranychus urticae.
AID332912	Antimicrobial activity Propionibacterium acnes ATCC 11827 after 2 days by broth dilution method	1994	Journal of natural products, Jan, Volume: 57, Issue:1	Naturally occurring antiacne agents.
AID659297	Antimycoplasmal activity against Mycoplasma pneumoniae K7 after 3 to 5 days by broth microdilution method	2012	European journal of medicinal chemistry, Jun, Volume: 52	In vitro antimycoplasmal activity of Citrus bergamia essential oil and its major components.
AID1081539	Nematicidal activity against Meloidogyne incognita J2 (root-knot nematode) larvae immersed in compound solution for 48 hr assessed as reduction in larval motility	2010	Journal of agricultural and food chemistry, Jul-14, Volume: 58, Issue:13	Phytochemistry and nematicidal activity of the essential oils from 8 Greek Lamiaceae aromatic plants and 13 terpene components.
AID334990	Antimicrobial activity against Brevibacterium ammoniagenes ATCC 6872 after 2 days by twofold serial broth dilution method	1992	Journal of natural products, May, Volume: 55, Issue:5	Antimicrobial agents from Licaria puchuri-major and their synergistic effect with polygodial.
AID1111944	Insecticidal activity against fenpropathrin-resistant female Tetranychus urticae FRT-53 (two-spotted spider mite) in kidney bean assessed as mortality in 3 cm disks measured after 24 hr exposure by vapour-phase mortality bioassay	2011	Pest management science, Dec, Volume: 67, Issue:12	Fumigant toxicity of lemon eucalyptus oil constituents to acaricide-susceptible and acaricide-resistant Tetranychus urticae.
AID1102885	Antimicrobial activity against Vibrio parahaemolyticus ATCC 33844 assessed as growth inhibition rate at 3.8 mg/l after 72 hr by spectrophotometry	2004	Journal of agricultural and food chemistry, Feb-25, Volume: 52, Issue:4	Volatile constituents from the leaves of Callicarpa japonica Thunb. and their antibacterial activities.
AID624608	Specific activity of expressed human recombinant UGT1A4	2000	Annual review of pharmacology and toxicology, , Volume: 40	Human UDP-glucuronosyltransferases: metabolism, expression, and disease.
AID335000	Antimicrobial activity against Penicillium chrysogenum ATCC 10106 after 5 days by twofold serial broth dilution method	1992	Journal of natural products, May, Volume: 55, Issue:5	Antimicrobial agents from Licaria puchuri-major and their synergistic effect with polygodial.
AID338297	Acaricidal activity against Psoroptes cuniculi at 1% dilution in physiological saline after 48 hrs by direct contact assay	1995	Journal of natural products, Aug, Volume: 58, Issue:8	Structure/activity relationship of some natural monoterpenes as acaricides against Psoroptes cuniculi.
AID555344	Effect on growth in Staphylococcus aureus MN8 at 3.75 mM after 24 hrs (Rvb = 100%)	2009	Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5	Surfactants, aromatic and isoprenoid compounds, and fatty acid biosynthesis inhibitors suppress Staphylococcus aureus production of toxic shock syndrome toxin 1.
AID1101970	Antifungal activity against Sclerotinia sclerotiorum after 4 days	2002	Journal of agricultural and food chemistry, Nov-06, Volume: 50, Issue:23	Composition and antifungal activity on soil-borne pathogens of the essential oil of Salvia sclarea from Greece.
AID1387996	Inhibition of human 5-HT3A receptor expressed in Xenopus laevis oocytes assessed as HT-induced current by electrophysiological method	2017	Bioorganic & medicinal chemistry letters, 08-01, Volume: 27, Issue:15	Progress in the discovery of small molecule modulators of the Cys-loop superfamily receptors.
AID555376	Induction of toxin TSST-1 production in Staphylococcus aureus MN8 at 3.75 mM after 24 hrs relative to control	2009	Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5	Surfactants, aromatic and isoprenoid compounds, and fatty acid biosynthesis inhibitors suppress Staphylococcus aureus production of toxic shock syndrome toxin 1.
AID1102854	Antimicrobial activity against Listeria monocytogenes ATCC 19111 assessed as growth inhibition rate at 3.8 mg/l after 72 hr by spectrophotometry	2004	Journal of agricultural and food chemistry, Feb-25, Volume: 52, Issue:4	Volatile constituents from the leaves of Callicarpa japonica Thunb. and their antibacterial activities.
AID624614	Specific activity of expressed human recombinant UGT2A1	2000	Annual review of pharmacology and toxicology, , Volume: 40	Human UDP-glucuronosyltransferases: metabolism, expression, and disease.
AID334989	Antimicrobial activity against Bacillus subtilis ATCC 9372 after 2 days by twofold serial broth dilution method	1992	Journal of natural products, May, Volume: 55, Issue:5	Antimicrobial agents from Licaria puchuri-major and their synergistic effect with polygodial.
AID1090483	Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 1000 ug/mL measured after 5 days of cultivation	2006	Journal of agricultural and food chemistry, May-31, Volume: 54, Issue:11	Antifungal activities of major tea leaf volatile constituents toward Colletorichum camelliae Massea.
AID1111942	Insecticidal activity against abamectin-resistant female Tetranychus urticae ART-53 (two-spotted spider mite) in kidney bean assessed as mortality in 3 cm disks measured after 24 hr exposure by vapour-phase mortality bioassay	2011	Pest management science, Dec, Volume: 67, Issue:12	Fumigant toxicity of lemon eucalyptus oil constituents to acaricide-susceptible and acaricide-resistant Tetranychus urticae.
AID334999	Antimicrobial activity against Pityrosporum ovale ATCC 14521 by twofold serial broth dilution method	1992	Journal of natural products, May, Volume: 55, Issue:5	Antimicrobial agents from Licaria puchuri-major and their synergistic effect with polygodial.
AID1090485	Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 100 ug/mL measured after 5 days of cultivation	2006	Journal of agricultural and food chemistry, May-31, Volume: 54, Issue:11	Antifungal activities of major tea leaf volatile constituents toward Colletorichum camelliae Massea.
AID1102792	Antimicrobial activity against Escherichia coli O157:H7 ATCC 43894 assessed as growth inhibition rate at 3.8 mg/l after 72 hr by spectrophotometry	2004	Journal of agricultural and food chemistry, Feb-25, Volume: 52, Issue:4	Volatile constituents from the leaves of Callicarpa japonica Thunb. and their antibacterial activities.
AID1111943	Insecticidal activity against pyridaben-resistant female Tetranychus urticae PRT-53 (two-spotted spider mite) in kidney bean assessed as mortality in 3 cm disks measured after 24 hr exposure by vapour-phase mortality bioassay	2011	Pest management science, Dec, Volume: 67, Issue:12	Fumigant toxicity of lemon eucalyptus oil constituents to acaricide-susceptible and acaricide-resistant Tetranychus urticae.
AID1081540	Nematicidal activity against Meloidogyne incognita J2 (root-knot nematode) larvae immersed in compound solution for 96 hr assessed as reduction in larval motility	2010	Journal of agricultural and food chemistry, Jul-14, Volume: 58, Issue:13	Phytochemistry and nematicidal activity of the essential oils from 8 Greek Lamiaceae aromatic plants and 13 terpene components.
AID1399357	Antioxidant activity assessed as trolox equivalent of hydroxyl radical scavenging activity by DMPO spin trap-based ESR spectrometric method	2018	Bioorganic & medicinal chemistry letters, 10-01, Volume: 28, Issue:18	Monoterpene's multiple free radical scavenging capacity as compared with the radioprotective agent cysteamine and amifostine.
AID555363	Induction of toxin TSST-1 production in Staphylococcus aureus MN8 at 0.75 mM after 24 hrs relative to control	2009	Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5	Surfactants, aromatic and isoprenoid compounds, and fatty acid biosynthesis inhibitors suppress Staphylococcus aureus production of toxic shock syndrome toxin 1.
AID302173	Antifungal activity against Candida albicans ATCC 90028 after 24 hrs	2007	Bioorganic & medicinal chemistry letters, Nov-15, Volume: 17, Issue:22	Modifications of the chemical structure of terpenes in antiplasmodial and antifungal drug research.
AID334998	Antimicrobial activity against Candida utilis ATCC 9226 after 2 days by twofold serial broth dilution method	1992	Journal of natural products, May, Volume: 55, Issue:5	Antimicrobial agents from Licaria puchuri-major and their synergistic effect with polygodial.
AID1102947	Antimicrobial activity against Bacillus cereus ATCC 11778 assessed as growth inhibition rate at 3.8 mg/l after 72 hr by spectrophotometry	2004	Journal of agricultural and food chemistry, Feb-25, Volume: 52, Issue:4	Volatile constituents from the leaves of Callicarpa japonica Thunb. and their antibacterial activities.
AID1399359	Antioxidant activity assessed as trolox equivalent of tert-butyl peroxyl radical scavenging activity by CYPMPO spin trap-based ESR spectrometric method	2018	Bioorganic & medicinal chemistry letters, 10-01, Volume: 28, Issue:18	Monoterpene's multiple free radical scavenging capacity as compared with the radioprotective agent cysteamine and amifostine.
AID334991	Antimicrobial activity against Propionibacterium acnes ATCC 11827 after 2 days by twofold serial broth dilution method	1992	Journal of natural products, May, Volume: 55, Issue:5	Antimicrobial agents from Licaria puchuri-major and their synergistic effect with polygodial.
AID302171	Antiplasmodial activity after 48 hrs against chloroquine-resistant Plasmodium falciparum FcM29-Cameroon by [3H]hypoxanthine uptake	2007	Bioorganic & medicinal chemistry letters, Nov-15, Volume: 17, Issue:22	Modifications of the chemical structure of terpenes in antiplasmodial and antifungal drug research.
AID334995	Antimicrobial activity against Pseudomonas aeruginosa ATCC 10145 after 2 days by twofold serial broth dilution method	1992	Journal of natural products, May, Volume: 55, Issue:5	Antimicrobial agents from Licaria puchuri-major and their synergistic effect with polygodial.
AID1090481	Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 2000 ug/mL measured after 5 days of cultivation	2006	Journal of agricultural and food chemistry, May-31, Volume: 54, Issue:11	Antifungal activities of major tea leaf volatile constituents toward Colletorichum camelliae Massea.
AID334993	Antimicrobial activity against Streptococcus mutans ATCC 25175 after 2 days by twofold serial broth dilution method	1992	Journal of natural products, May, Volume: 55, Issue:5	Antimicrobial agents from Licaria puchuri-major and their synergistic effect with polygodial.
AID1070523	Partition coefficient, log K of the compound in n-hexane/methyl tert-butylether/acetonitrile 10:1:10 solvent system by HSCCC/EECCC analysis	2014	Journal of natural products, Mar-28, Volume: 77, Issue:3	Airborne antituberculosis activity of Eucalyptus citriodora essential oil.
AID1111945	Insecticidal activity against chlorfenapyr-resistant female Tetranychus urticae CRT-53 (two-spotted spider mite) in kidney bean assessed as mortality in 3 cm disks measured after 24 hr exposure by vapour-phase mortality bioassay	2011	Pest management science, Dec, Volume: 67, Issue:12	Fumigant toxicity of lemon eucalyptus oil constituents to acaricide-susceptible and acaricide-resistant Tetranychus urticae.
AID1399360	Antioxidant activity assessed as trolox equivalent of superoxide radical scavenging activity by CYPMPO spin trap-based ESR spectrometric method	2018	Bioorganic & medicinal chemistry letters, 10-01, Volume: 28, Issue:18	Monoterpene's multiple free radical scavenging capacity as compared with the radioprotective agent cysteamine and amifostine.
AID334996	Antimicrobial activity against Enterobacter aerogenes ATCC 13048 after 2 days by twofold serial broth dilution method	1992	Journal of natural products, May, Volume: 55, Issue:5	Antimicrobial agents from Licaria puchuri-major and their synergistic effect with polygodial.
AID338298	Acaricidal activity against Psoroptes cuniculi at 0.25% dilution in physiological saline after 48 hrs by direct contact assay	1995	Journal of natural products, Aug, Volume: 58, Issue:8	Structure/activity relationship of some natural monoterpenes as acaricides against Psoroptes cuniculi.
AID1090484	Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 500 ug/mL measured after 5 days of cultivation	2006	Journal of agricultural and food chemistry, May-31, Volume: 54, Issue:11	Antifungal activities of major tea leaf volatile constituents toward Colletorichum camelliae Massea.
AID1101969	Antifungal activity against Sclerotium cepivorum after 4 days	2002	Journal of agricultural and food chemistry, Nov-06, Volume: 50, Issue:23	Composition and antifungal activity on soil-borne pathogens of the essential oil of Salvia sclarea from Greece.
AID1081538	Nematicidal activity against Meloidogyne incognita J2 (root-knot nematode) larvae immersed in compound solution for 24 hr assessed as reduction in larval motility	2010	Journal of agricultural and food chemistry, Jul-14, Volume: 58, Issue:13	Phytochemistry and nematicidal activity of the essential oils from 8 Greek Lamiaceae aromatic plants and 13 terpene components.
AID338302	Acaricidal activity against Psoroptes cuniculi at 1 uL after 24 hrs by inhalation assay	1995	Journal of natural products, Aug, Volume: 58, Issue:8	Structure/activity relationship of some natural monoterpenes as acaricides against Psoroptes cuniculi.
AID338300	Acaricidal activity against Psoroptes cuniculi at 6 uL after 24 hrs by inhalation assay	1995	Journal of natural products, Aug, Volume: 58, Issue:8	Structure/activity relationship of some natural monoterpenes as acaricides against Psoroptes cuniculi.
AID1399358	Antioxidant activity assessed as trolox equivalent of alkoxyl radical scavenging activity by DMPO spin trap-based ESR spectrometric method	2018	Bioorganic & medicinal chemistry letters, 10-01, Volume: 28, Issue:18	Monoterpene's multiple free radical scavenging capacity as compared with the radioprotective agent cysteamine and amifostine.
AID1399361	Antioxidant activity assessed as trolox equivalent of singlet oxygen scavenging activity by TMPD spin trap-based ESR spectrometric method	2018	Bioorganic & medicinal chemistry letters, 10-01, Volume: 28, Issue:18	Monoterpene's multiple free radical scavenging capacity as compared with the radioprotective agent cysteamine and amifostine.
AID1102824	Antimicrobial activity against Staphylococcus aureus ATCC 25923 assessed as growth inhibition rate at 3.8 mg/l after 72 hr by spectrophotometry	2004	Journal of agricultural and food chemistry, Feb-25, Volume: 52, Issue:4	Volatile constituents from the leaves of Callicarpa japonica Thunb. and their antibacterial activities.
AID1399362	Antioxidant activity assessed as trolox equivalent of methyl radical scavenging activity by DMPO spin trap-based ESR spectrometric method	2018	Bioorganic & medicinal chemistry letters, 10-01, Volume: 28, Issue:18	Monoterpene's multiple free radical scavenging capacity as compared with the radioprotective agent cysteamine and amifostine.
AID334994	Antimicrobial activity against Escherichia coli ATCC 9637 after 2 days by twofold serial broth dilution method	1992	Journal of natural products, May, Volume: 55, Issue:5	Antimicrobial agents from Licaria puchuri-major and their synergistic effect with polygodial.
AID1159550	Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening	2015	Nature cell biology, Nov, Volume: 17, Issue:11	6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	16 (1.71)	18.7374
1990's	37 (3.95)	18.2507
2000's	204 (21.77)	29.6817
2010's	484 (51.65)	24.3611
2020's	196 (20.92)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	10 (1.04%)	5.53%
Reviews	35 (3.64%)	6.00%
Case Studies	7 (0.73%)	4.05%
Observational	0 (0.00%)	0.25%
Other	909 (94.59%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
gamma-aminobutyric acid gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system.. gamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4.	2.47	2	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
4-hydroxybenzoic acid 4-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring.	3.54	2	0	monohydroxybenzoic acid	algal metabolite; plant metabolite
acetic acid Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed). acetic acid : A simple monocarboxylic acid containing two carbons.	5.02	6	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
acetaldehyde Acetaldehyde: A colorless, flammable liquid used in the manufacture of acetic acid, perfumes, and flavors. It is also an intermediate in the metabolism of alcohol. It has a general narcotic action and also causes irritation of mucous membranes. Large doses may cause death from respiratory paralysis.. acetaldehyde : The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke.. aldehyde : A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.. acetyl group : A group, formally derived from acetic acid by dehydroxylation, which is fundamental to the biochemistry of all forms of life. When bound to coenzyme A, it is central to the metabolism of carbohydrates and fats.	3.13	5	0	aldehyde	carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent
acetoin [no description available]	2.08	1	0	methyl ketone; secondary alpha-hydroxy ketone	metabolite
ammonium hydroxide azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2.	2.25	1	0	azane; gas molecular entity; mononuclear parent hydride	EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant
benzaldehyde [no description available]	3.16	5	0	benzaldehydes	EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite
benzene [no description available]	7.41	1	0	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar solvent
benzoic acid Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring.	3.1	1	0	benzoic acids	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
benzyl alcohol Benzyl Alcohol: A colorless liquid with a sharp burning taste and slight odor. It is used as a local anesthetic and to reduce pain associated with LIDOCAINE injection. Also, it is used in the manufacture of other benzyl compounds, as a pharmaceutic aid, and in perfumery and flavoring.. hydroxytoluene : Any member of the class of toluenes carrying one or more hydroxy substituents.. benzyl alcohol : An aromatic alcohol that consists of benzene bearing a single hydroxymethyl substituent.. aromatic alcohol : Any alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring.. aromatic primary alcohol : Any primary alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring.	5.02	12	0	benzyl alcohols	antioxidant; fragrance; metabolite; solvent
1-butanol 1-Butanol: A four carbon linear hydrocarbon that has a hydroxy group at position 1.. butan-1-ol : A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes.	2.01	1	0	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
butyric acid Butyric Acid: A four carbon acid, CH3CH2CH2COOH, with an unpleasant odor that occurs in butter and animal fat as the glycerol ester.. butyrate : A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group.. butyric acid : A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group.	3.8	3	0	fatty acid 4:0; straight-chain saturated fatty acid	human urinary metabolite; Mycoplasma genitalium metabolite
citric acid, anhydrous Citric Acid: A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium chelating ability.. citric acid : A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms.	2.13	1	0	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
coumarin 2H-chromen-2-one: coumarin derivative	2.11	1	0	coumarins	fluorescent dye; human metabolite; plant metabolite
cuminaldehyde cuminaldehyde : A member of the class of benzaldehydes that is benzaldehyde substituted by an isopropyl group at position 4. It is a component of essential oils from Cumin and exhibits insecticidal activities.	2.15	1	0	benzaldehydes	insecticide; plant metabolite; volatile oil component
4-vinylguaiacol 2-methoxy-4-vinylphenol: a germination inhibitor; also an odorant in green tea; structure in first source. 2-methoxy-4-vinylphenol : A member of the class of phenols that is guaiacol in which the hydrogen para- to the hydroxy group is replaced by a vinyl group.	2.13	1	0	phenols	flavouring agent; pheromone; plant metabolite
salicylic acid Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL).	4.37	6	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
gallic acid gallate : A trihydroxybenzoate that is the conjugate base of gallic acid.	4.09	4	0	trihydroxybenzoic acid	antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite
octanoic acid octanoic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #1764. octanoic acid : A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid.	3.52	2	0	medium-chain fatty acid; straight-chain saturated fatty acid	antibacterial agent; Escherichia coli metabolite; human metabolite
hydrogen sulfide Hydrogen Sulfide: A flammable, poisonous gas with a characteristic odor of rotten eggs. It is used in the manufacture of chemicals, in metallurgy, and as an analytical reagent. (From Merck Index, 11th ed). hydrogen sulfide : A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen.. thiol : An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety.	2.25	1	0	gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride	Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent
4-aminophenol 4-aminophenol: RN given refers to parent cpd. 4-aminophenol : An amino phenol (one of the three possible isomers) which has the single amino substituent located para to the phenolic -OH group.	3.1	1	0	aminophenol	allergen; metabolite
caprylic aldehyde caprylic aldehyde: structure in Merck Index, 9th ed, #1765. octanal : A saturated fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid).	3	4	0	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	plant metabolite
guaiacol Guaiacol: An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747). methylcatechol : Any member of the class of catechols carrying one or more methyl substituents.. guaiacol : A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position.	2.52	2	0	guaiacols	disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite
fosmidomycin fosmidomycin: from Streptomyces lavendulae; RN given refers to parent cpd; structure in second source. fosmidomycin : Propylphosphonic acid in which one of the hydrogens at position 3 is substituted by a formyl(hydroxy)amino group. An antibiotic obtained from Streptomyces lavendulae, it specifically inhibits DXP reductoisomerase (EC 1.1.1.267), a key enzyme in the non-mevalonate pathway of isoprenoid biosynthesis.	2.06	1	0	hydroxamic acid; phosphonic acids	antimicrobial agent; bacterial metabolite; EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor
lactic acid Lactic Acid: A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed). 2-hydroxypropanoic acid : A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group.	7.11	1	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
3,3-dimethylallyl pyrophosphate 3,3-dimethylallyl pyrophosphate: isomeric with isopentenyl pyrophosphate. prenyl diphosphate : A prenol phosphate that is a phosphoantigen comprising the O-pyrophosphate of prenol.	2.41	1	0	prenol phosphate	epitope; Escherichia coli metabolite; mouse metabolite; phosphoantigen
diacetyl butane-2,3-dione : An alpha-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation.	2.01	1	0	alpha-diketone	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
glycine [no description available]	7.5	2	0	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
glycerol Moon: The natural satellite of the planet Earth. It includes the lunar cycles or phases, the lunar month, lunar landscapes, geography, and soil.	2.11	1	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
hydroquinone [no description available]	3.1	1	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
indole [no description available]	2.73	3	0	indole; polycyclic heteroarene	Escherichia coli metabolite
iodine Iodine: A nonmetallic element of the halogen group that is represented by the atomic symbol I, atomic number 53, and atomic weight of 126.90. It is a nutritionally essential element, especially important in thyroid hormone synthesis. In solution, it has anti-infective properties and is used topically.. diiodine : Molecule comprising two covalently bonded iodine atoms with overall zero charge..	2.21	1	0	diatomic iodine	nutrient
kynurenine Kynurenine: A metabolite of the essential amino acid tryptophan metabolized via the tryptophan-kynurenine pathway.. kynurenine : A ketone that is alanine in which one of the methyl hydrogens is substituted by a 2-aminobenzoyl group.	2.1	1	0	aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline	human metabolite
thioctic acid Thioctic Acid: An octanoic acid bridged with two sulfurs so that it is sometimes also called a pentanoic acid in some naming schemes. It is biosynthesized by cleavage of LINOLEIC ACID and is a coenzyme of oxoglutarate dehydrogenase (KETOGLUTARATE DEHYDROGENASE COMPLEX). It is used in DIETARY SUPPLEMENTS.	2.01	1	0	dithiolanes; heterocyclic fatty acid; thia fatty acid	fundamental metabolite; geroprotector
methylmercaptan methylmercaptan: intermediate in the manufacturing of jet fuels, pesticides, fungicides, plastics, synthesis of methionine; odor may cause nausea; narcotic in high concentrations; depresses urea biosynthesis; RN given refers to parent cpd; structure	2.25	1	0	alkanethiol	human metabolite; Saccharomyces cerevisiae metabolite
methanol Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group.	4.05	4	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
croton oil [no description available]	2.02	1	0	N-acyl-hexosamine
nickel Nickel: A trace element with the atomic symbol Ni, atomic number 28, and atomic weight 58.69. It is a cofactor of the enzyme UREASE.. nickel ion : A nickel atom having a net electric charge.. nickel atom : Chemical element (nickel group element atom) with atomic number 28.	2.17	1	0	metal allergen; nickel group element atom	epitope; micronutrient
nitrates Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical.	1.99	1	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
nitrites Nitrites: Salts of nitrous acid or compounds containing the group NO2-. The inorganic nitrites of the type MNO2 (where M=metal) are all insoluble, except the alkali nitrites. The organic nitrites may be isomeric, but not identical with the corresponding nitro compounds. (Grant & Hackh's Chemical Dictionary, 5th ed)	2.03	1	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
n,n-dimethylaniline N,N-dimethylaniline: RN given refers to parent cpd; structure. dimethylaniline : A methylaniline carrying at least two methyl groups.. N,N-dimethylaniline : A tertiary amine that is aniline in which the amino hydrogens are replaced by two methyl groups.	3.1	1	0	dimethylaniline; tertiary amine
1-octanol 1-Octanol: A colorless, slightly viscous liquid used as a defoaming or wetting agent. It is also used as a solvent for protective coatings, waxes, and oils, and as a raw material for plasticizers. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). octan-1-ol : An octanol carrying the hydroxy group at position 1.	8.41	7	0	octanol; primary alcohol	antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite
4-aminobenzoic acid 4-Aminobenzoic Acid: An aminobenzoic acid isomer that combines with pteridine and GLUTAMIC ACID to form FOLIC ACID. The fact that 4-aminobenzoic acid absorbs light throughout the UVB range has also resulted in its use as an ingredient in SUNSCREENS.. 4-ammoniobenzoate : A zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-aminobenzoic acid.. 4-aminobenzoic acid : An aminobenzoic acid in which the amino group is para to the carboxy group.	2.05	1	0	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
4-nitrophenol 4-nitrophenol: RN given refers to parent cpd. mononitrophenol : A nitrophenol that is phenol carrying a single nitro substituent at unspecified position.. 4-nitrophenol : A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group.	3.1	1	0	4-nitrophenols	human xenobiotic metabolite; mouse metabolite
palmitic acid Palmitic Acid: A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids.. hexadecanoic acid : A straight-chain, sixteen-carbon, saturated long-chain fatty acid.	2.47	2	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite
phenol [no description available]	3.1	1	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
phenylacetaldehyde [no description available]	2.98	4	0	alpha-CH2-containing aldehyde; phenylacetaldehydes	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
phenylacetic acid phenylacetic acid : A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group.	2.02	1	0	benzenes; monocarboxylic acid; phenylacetic acids	allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin
propylene glycol Propylene Glycol: A clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations.. propane-1,2-diol : The simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze.	3.68	2	0	glycol; propane-1,2-diols	allergen; human xenobiotic metabolite; mouse metabolite; protic solvent
1-propanol 1-Propanol: A colorless liquid made by oxidation of aliphatic hydrocarbons that is used as a solvent and chemical intermediate.. propan-1-ol : The parent member of the class of propan-1-ols that is propane in which a hydrogen of one of the methyl groups is replaced by a hydroxy group.	2.42	2	0	propan-1-ols; short-chain primary fatty alcohol	metabolite; protic solvent
propionic acid propionic acid : A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group.	3.11	1	0	saturated fatty acid; short-chain fatty acid	antifungal drug
pyrogallol benzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring.	3.54	2	0	benzenetriol; phenolic donor	plant metabolite
pyruvic acid Pyruvic Acid: An intermediate compound in the metabolism of carbohydrates, proteins, and fats. In thiamine deficiency, its oxidation is retarded and it accumulates in the tissues, especially in nervous structures. (From Stedman, 26th ed). pyruvic acid : A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis.	2.03	1	0	2-oxo monocarboxylic acid	cofactor; fundamental metabolite
quinolinic acid Quinolinic Acid: A metabolite of tryptophan with a possible role in neurodegenerative disorders. Elevated CSF levels of quinolinic acid are correlated with the severity of neuropsychological deficits in patients who have AIDS.. pyridinedicarboxylic acid : Any member of the class of pyridines carrying two carboxy groups.. quinolinic acid : A pyridinedicarboxylic acid that is pyridine substituted by carboxy groups at positions 2 and 3. It is a metabolite of tryptophan.	2	1	0	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist
dimethyl sulfide dimethyl sulfide: structure. dimethyl sulfide : A methyl sulfide in which the sulfur atom is substituted by two methyl groups. It is produced naturally by some marine algae.. methyl sulfide : Any aliphatic sulfide in which at least one of the organyl groups attached to the sulfur is a methyl group.	2.05	1	0	aliphatic sulfide	algal metabolite; bacterial xenobiotic metabolite; EC 3.5.1.4 (amidase) inhibitor; Escherichia coli metabolite; marine metabolite
toluene methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups.	2.02	1	0	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
tryptophan [no description available]	3.1	1	0	alpha-amino acid; amino acid zwitterion; aminoalkylindole; aromatic amino acid; polar amino acid	Daphnia magna metabolite
uric acid Uric Acid: An oxidation product, via XANTHINE OXIDASE, of oxypurines such as XANTHINE and HYPOXANTHINE. It is the final oxidation product of purine catabolism in humans and primates, whereas in most other mammals URATE OXIDASE further oxidizes it to ALLANTOIN.. uric acid : An oxopurine that is the final oxidation product of purine metabolism.. 6-hydroxy-1H-purine-2,8(7H,9H)-dione : A tautomer of uric acid having oxo groups at C-2 and C-8 and a hydroxy group at C-6.. 7,9-dihydro-1H-purine-2,6,8(3H)-trione : An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8.	2.6	1	0	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
vanillin Vanilla: A plant genus of the family ORCHIDACEAE that is the source of the familiar flavoring used in foods and medicines (FLAVORING AGENTS).	5.23	3	1	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite
isopentenyl pyrophosphate isopentenyl pyrophosphate: substrate for isopentenyl pyrophosphate isomerase; RN given refers to unlabeled cpd; a nonpeptide mycobacterial antigen that stimulates gamma delta T cells. isopentenyl diphosphate : A prenol phosphate comprising 3-methylbut-3-en-1-ol having an O-diphosphate substituent.	2.41	1	0	prenol phosphate	antigen; antioxidant; epitope; Escherichia coli metabolite; mouse metabolite; phosphoantigen
catechin [no description available]	3.1	1	0	hydroxyflavan
menthol Menthol: A monoterpene cyclohexanol produced from mint oils.	10.8	28	0	p-menthane monoterpenoid; secondary alcohol	volatile oil component
1,3-dipropyl-8-cyclopentylxanthine DPCPX : An oxopurine that is 7H-xanthine substituted at positions 1 and 3 by propyl groups and at position 8 by a cyclohexyl group.	2.03	1	0	oxopurine	adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
1-(3-chlorophenyl)biguanide 1-(3-chlorophenyl)biguanide: RN given refers to parent cp; a 5-HT3 receptor agonist	3.25	1	0	biguanides; monochlorobenzenes
1-anilino-8-naphthalenesulfonate 1-anilino-8-naphthalenesulfonate: RN given refers to parent cpd. 8-anilinonaphthalene-1-sulfonic acid : A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8.	2.49	2	0	aminonaphthalene; naphthalenesulfonic acid	fluorescent probe
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one 1H-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one: structure given in first source; inhibits guanylyl cyclase. 1H-[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one : A member of the class of oxadiazoloquinoxalines that is 1H-[1,2,4]oxadiazolo[4,3-a]quinoxaline substituted at position 1 by an oxo group.	2.11	1	0	oxadiazoloquinoxaline	EC 4.6.1.2 (guanylate cyclase) inhibitor
2-aminofluorene [no description available]	3.1	1	0
homovanillic acid Homovanillic Acid: A 3-O-methyl ETHER of (3,4-dihydroxyphenyl)acetic acid.. homovanillate : A hydroxy monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of homovanillic acid.. homovanillic acid : A monocarboxylic acid that is the 3-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. It is a catecholamine metabolite.	3.1	1	0	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
hydroxyindoleacetic acid (5-hydroxyindol-3-yl)acetic acid : A member of the class of indole-3-acetic acids that is indole-3-acetic acid substituted by a hydroxy group at C-5.	2.13	1	0	indole-3-acetic acids	drug metabolite; human metabolite; mouse metabolite
6-hydroxymelatonin 6-hydroxymelatonin : A member of the class of tryptamines that is melatonin with a hydroxy group substituent at position 6.	3.1	1	0	acetamides; tryptamines	metabolite; mouse metabolite
oxyquinoline Oxyquinoline: An antiseptic with mild fungistatic, bacteriostatic, anthelmintic, and amebicidal action. It is also used as a reagent and metal chelator, as a carrier for radio-indium for diagnostic purposes, and its halogenated derivatives are used in addition as topical anti-infective agents and oral antiamebics.. quinolin-8-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 8. Its fungicidal properties are used for the control of grey mould on vines and tomatoes.	3.1	1	0	monohydroxyquinoline	antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator
acetaminophen Acetaminophen: Analgesic antipyretic derivative of acetanilide. It has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage.. paracetamol : A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group.	3.52	2	0	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
amifostine anhydrous Amifostine: A phosphorothioate proposed as a radiation-protective agent. It causes splenic vasodilation and may block autonomic ganglia.. amifostine : An organic thiophosphate that is the S-phospho derivative of 2-[(3-aminopropyl)amino]ethanethiol. A prodrug for the free thiol, WR-1065, which is used as a cytoprotectant in cancer chemotherapy and radiotherapy.	2.17	1	0	diamine; organic thiophosphate	antioxidant; prodrug; radiation protective agent
amitriptyline Amitriptyline: Tricyclic antidepressant with anticholinergic and sedative properties. It appears to prevent the re-uptake of norepinephrine and serotonin at nerve terminals, thus potentiating the action of these neurotransmitters. Amitriptyline also appears to antagonize cholinergic and alpha-1 adrenergic responses to bioactive amines.. amitriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5.	3.1	1	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
aspirin Aspirin: The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5). acetylsalicylate : A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group.. acetylsalicylic acid : A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity.	3.1	1	0	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
benzyl benzoate benzyl benzoate: structure; acarosan, a moist powder composed of wetted cellulose and benzyl benzoate, is used on carpets as an acaricide. benzyl benzoate : A benzoate ester obtained by the formal condensation of benzoic acid with benzyl alcohol. It has been isolated from the plant species of the genus Polyalthia.	2.13	1	0	benzoate ester; benzyl ester	acaricide; plant metabolite; scabicide
beta-naphthoflavone beta-Naphthoflavone: A polyaromatic hydrocarbon inducer of P4501A1 and P4501A2 cytochromes. (Proc Soc Exp Biol Med 1994 Dec:207(3):302-308). beta-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone.	3.1	1	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist
bumetanide [no description available]	3.1	1	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
caffeine [no description available]	1.98	1	0	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic
camphor, (+-)-isomer [no description available]	4.13	15	0	bornane monoterpenoid; cyclic monoterpene ketone	plant metabolite
cannabinol Cannabinol: A physiologically inactive constituent of Cannabis sativa L.	2.72	2	0	dibenzopyran
carbamazepine Carbamazepine: A dibenzazepine that acts as a sodium channel blocker. It is used as an anticonvulsant for the treatment of grand mal and psychomotor or focal SEIZURES. It may also be used in the management of BIPOLAR DISORDER, and has analgesic properties.. carbamazepine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant.	3.1	1	0	dibenzoazepine; ureas	analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic
cetyl alcohol cetyl alcohol: has been used for eczema, skin irritations; RN given refers to parent cpd; structure. hexadecanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of sixteen carbon atoms.. hexadecan-1-ol : A long-chain primary fatty alcohol that is hexadecane substituted by a hydroxy group at position 1.	2.4	2	0	hexadecanol; long-chain primary fatty alcohol	algal metabolite; flavouring agent; human metabolite; plant metabolite
chlordiazepoxide Chlordiazepoxide: An anxiolytic benzodiazepine derivative with anticonvulsant, sedative, and amnesic properties. It has also been used in the symptomatic treatment of alcohol withdrawal.. chlordiazepoxide : A benzodiazepine that is 3H-1,4-benzodiazepine 4-oxide substituted by a chloro group at position 7, a phenyl group at position 5 and a methylamino group at position 2.	2.25	1	0	benzodiazepine
chloroquine Chloroquine: The prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses.. chloroquine : An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis.	2.03	1	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chlorpheniramine Chlorpheniramine: A histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than PROMETHAZINE.. chlorphenamine : A tertiary amino compound that is propylamine which is substituted at position 3 by a pyridin-2-yl group and a p-chlorophenyl group and in which the hydrogens attached to the nitrogen are replaced by methyl groups. A histamine H1 antagonist, it is used to relieve the symptoms of hay fever, rhinitis, urticaria, and asthma.	3.1	1	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor
chlorpromazine Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup.. chlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety.	3.1	1	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
eucalyptol [no description available]	6.64	63	0
ciprofibrate [no description available]	3.1	1	0	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
ciprofloxacin Ciprofloxacin: A broad-spectrum antimicrobial carboxyfluoroquinoline.. ciprofloxacin : A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively.	2.72	2	0	aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion	antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic
clofibrate angiokapsul: contains clofibrate & insoitolnicotinate	3.1	1	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clofibric acid Clofibric Acid: An antilipemic agent that is the biologically active metabolite of CLOFIBRATE.. clofibric acid : A monocarboxylic acid that is isobutyric acid substituted at position 2 by a p-chlorophenoxy group. It is a metabolite of the drug clofibrate.	3.1	1	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist
clonidine Clonidine: An imidazoline sympatholytic agent that stimulates ALPHA-2 ADRENERGIC RECEPTORS and central IMIDAZOLINE RECEPTORS. It is commonly used in the management of HYPERTENSION.. clonidine (amino form) : A clonidine that is 4,5-dihydro-1H-imidazol-2-amine in which one of the amino hydrogens is replaced by a 2,6-dichlorophenyl group.	2.07	1	0	clonidine; imidazoline
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide [no description available]	3.1	1	0	sulfonamide
4-cresol 4-cresol: RN given refers to parent cpd. p-cresol : A cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals.	3.1	1	0	cresol	Escherichia coli metabolite; human metabolite; uremic toxin
cyproheptadine Cyproheptadine: A serotonin antagonist and a histamine H1 blocker used as antipruritic, appetite stimulant, antiallergic, and for the post-gastrectomy dumping syndrome, etc.. cyproheptadine : The product resulting from the formal oxidative coupling of position 5 of 5H-dibenzo[a,d]cycloheptene with position 4 of 1-methylpiperidine resulting in the formation of a double bond between the two fragments. It is a sedating antihistamine with antimuscarinic and calcium-channel blocking actions. It is used (particularly as the hydrochloride sesquihydrate) for the relief of allergic conditions including rhinitis, conjunctivitis due to inhalant allergens and foods, urticaria and angioedema, and in pruritic skin disorders. Unlike other antihistamines, it is also a seratonin receptor antagonist, making it useful in conditions such as vascular headache and anorexia.	3.1	1	0	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
danthron danthron: structure. chrysazin : A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 8.	3.1	1	0	dihydroxyanthraquinone	apoptosis inducer; plant metabolite
dapsone [no description available]	3.1	1	0	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
decanoic acid decanoate : A fatty acid anion 10:0 that is the conjugate base of decanoic acid.. decanoic acid : A C10, straight-chain saturated fatty acid.	3.1	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; anti-inflammatory agent; antibacterial agent; human metabolite; plant metabolite; volatile oil component
desipramine Desipramine: A tricyclic dibenzazepine compound that potentiates neurotransmission. Desipramine selectively blocks reuptake of norepinephrine from the neural synapse, and also appears to impair serotonin transport. This compound also possesses minor anticholinergic activity, through its affinity to muscarinic receptors.. desipramine : A dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group.	3.1	1	0	dibenzoazepine; secondary amino compound	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor
diazepam Diazepam: A benzodiazepine with anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties and a long duration of action. Its actions are mediated by enhancement of GAMMA-AMINOBUTYRIC ACID activity.. diazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5.	3.01	4	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diflunisal Diflunisal: A salicylate derivative and anti-inflammatory analgesic with actions and side effects similar to those of ASPIRIN.. diflunisal : An organofluorine compound comprising salicylic acid having a 2,4-difluorophenyl group at the 5-position.	3.1	1	0	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
diphenhydramine Diphenhydramine: A histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations. It has some undesired antimuscarinic and sedative effects.. diphenhydramine : An ether that is the benzhydryl ether of 2-(dimethylamino)ethanol. It is a H1-receptor antagonist used as a antipruritic and antitussive drug.. antitussive : An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration.	3.1	1	0	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative
valproic acid Valproic Acid: A fatty acid with anticonvulsant and anti-manic properties that is used in the treatment of EPILEPSY and BIPOLAR DISORDER. The mechanisms of its therapeutic actions are not well understood. It may act by increasing GAMMA-AMINOBUTYRIC ACID levels in the brain or by altering the properties of VOLTAGE-GATED SODIUM CHANNELS.. valproic acid : A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem.	3.1	1	0	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent
doxepin Doxepin: A dibenzoxepin tricyclic compound. It displays a range of pharmacological actions including maintaining adrenergic innervation. Its mechanism of action is not fully understood, but it appears to block reuptake of monoaminergic neurotransmitters into presynaptic terminals. It also possesses anticholinergic activity and modulates antagonism of histamine H(1)- and H(2)-receptors.. doxepin : A dibenzooxepine that is 6,11-dihydrodibenzo[b,e]oxepine substituted by a 3-(dimethylamino)propylidene group at position 11. It is used as an antidepressant drug.	3.1	1	0	dibenzooxepine; tertiary amino compound	antidepressant
doxylamine Doxylamine: Histamine H1 antagonist with pronounced sedative properties. It is used in allergies and as an antitussive, antiemetic, and hypnotic. Doxylamine has also been administered in veterinary applications and was formerly used in PARKINSONISM.	3.1	1	0	pyridines; tertiary amine	anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative
emodin Emodin: Purgative anthraquinone found in several plants, especially RHAMNUS PURSHIANA. It was formerly used as a laxative, but is now used mainly as a tool in toxicity studies.. emodin : A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs.	3.1	1	0	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor
ethacrynic acid Ethacrynic Acid: A compound that inhibits symport of sodium, potassium, and chloride primarily in the ascending limb of Henle, but also in the proximal and distal tubules. This pharmacological action results in excretion of these ions, increased urinary output, and reduction in extracellular fluid. This compound has been classified as a loop or high ceiling diuretic.. etacrynic acid : An aromatic ether that is phenoxyacetic acid in which the phenyl ring is substituted by chlorines at positions 2 and 3, and by a 2-methylidenebutanoyl group at position 4. It is a loop diuretic used to treat high blood pressure resulting from diseases such as congestive heart failure, liver failure, and kidney failure. It is also a glutathione S-transferase (EC 2.5.1.18) inhibitor.	3.1	1	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
fenoprofen Fenoprofen: A propionic acid derivative that is used as a non-steroidal anti-inflammatory agent.. fenoprofen : A monocarboxylic acid that is propanoic acid in which one of the hydrogens at position 2 is substituted by a 3-phenoxyphenyl group. A non-steroidal anti-inflammatory drug, the dihydrate form of the calcium salt is used for the management of mild to moderate pain and for the relief of pain and inflammation associated with disorders such as arthritis. It is pharmacologically similar to aspirin, but causes less gastrointestinal bleeding.	3.1	1	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
berotek Fenoterol: A synthetic adrenergic beta-2 agonist that is used as a bronchodilator and tocolytic.. fenoterol : A member of the class resorcinols that is 5-(1-hydroxyethyl)benzene-1,3-diol in which one of the methyl hydrogens is replaced by a 1-(4-hydroxyphenyl)propan-2-amino group. A beta2-adrenergic agonist, it is used (as the hydrobromide salt) as a bronchodilator in the management of reversible airway obstruction.	3.1	1	0	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent
fluconazole Fluconazole: Triazole antifungal agent that is used to treat oropharyngeal CANDIDIASIS and cryptococcal MENINGITIS in AIDS.. fluconazole : A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis.	3.09	4	0	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
flucytosine Flucytosine: A fluorinated cytosine analog that is used as an antifungal agent.. flucytosine : An organofluorine compound that is cytosine that is substituted at position 5 by a fluorine. A prodrug for the antifungal 5-fluorouracil, it is used for the treatment of systemic fungal infections.	2.03	1	0	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
fluphenazine [no description available]	3.1	1	0	N-alkylpiperazine; organofluorine compound; phenothiazines	anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug
flumazenil Flumazenil: A potent benzodiazepine receptor antagonist. Since it reverses the sedative and other actions of benzodiazepines, it has been suggested as an antidote to benzodiazepine overdoses.. flumazenil : An organic heterotricyclic compound that is 5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted at positions 3, 5, 6, and 8 by ethoxycarbonyl, methyl, oxo, and fluoro groups, respectively. It is used as an antidote to benzodiazepine overdose.	2.47	2	0	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
fluorescite fluorescein (acid form) : A xanthene dye that is highly fluorescent and commonly used as a fluorescent tracer.	3.1	1	0	benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye	fluorescent dye; radioopaque medium
furosemide Furosemide: A benzoic-sulfonamide-furan. It is a diuretic with fast onset and short duration that is used for EDEMA and chronic RENAL INSUFFICIENCY.. furosemide : A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure.	3.1	1	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
gentamicin Gentamicins: A complex of closely related aminoglycosides obtained from MICROMONOSPORA purpurea and related species. They are broad-spectrum antibiotics, but may cause ear and kidney damage. They act to inhibit PROTEIN BIOSYNTHESIS.	2.21	1	0
hexachlorophene Hexachlorophene: A chlorinated bisphenol antiseptic with a bacteriostatic action against Gram-positive organisms, but much less effective against Gram-negative organisms. It is mainly used in soaps and creams and is an ingredient of various preparations used for skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p797). hexachlorophene : An organochlorine compound that is diphenylmethane in which each of the phenyl groups is substituted by chlorines at positions 2, 3, and 5, and by a hydroxy group at position 6. An antiseptic that is effective against Gram-positive organisms, it is used in soaps and creams for the treatment of various skin disorders. It is also used in agriculture as an acaricide and fungicide, but is not approved for such use within the European Union.	2.05	1	0	bridged diphenyl fungicide; polyphenol; trichlorobenzene	acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug
beta-thujaplicin beta-thujaplicin: structure. beta-thujaplicin : A monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities.	2.41	2	0	cyclic ketone; enol; monoterpenoid	antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite
hypericin [no description available]	2.6	1	0
ibuprofen Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine	3.1	1	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
imipramine Imipramine: The prototypical tricyclic antidepressant. It has been used in major depression, dysthymia, bipolar depression, attention-deficit disorders, agoraphobia, and panic disorders. It has less sedative effect than some other members of this therapeutic group.. imipramine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom.	3.54	2	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
indomethacin Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis.	5.73	4	0	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic
1-methyl-3-isobutylxanthine 1-Methyl-3-isobutylxanthine: A potent cyclic nucleotide phosphodiesterase inhibitor; due to this action, the compound increases cyclic AMP and cyclic GMP in tissue and thereby activates CYCLIC NUCLEOTIDE-REGULATED PROTEIN KINASES. 3-isobutyl-1-methylxanthine : An oxopurine that is xanthine which is substituted at positions 1 and 3 by methyl and isobutyl groups, respectively.	2.07	1	0	3-isobutyl-1-methylxanthine
2-propanol 2-Propanol: An isomer of 1-PROPANOL. It is a colorless liquid having disinfectant properties. It is used in the manufacture of acetone and its derivatives and as a solvent. Topically, it is used as an antiseptic.. propan-2-ol : A secondary alcohol that is propane in which one of the hydrogens attached to the central carbon is substituted by a hydroxy group.	2.46	2	0	secondary alcohol; secondary fatty alcohol	protic solvent
ketoconazole 1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine : A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by imidazol-1-ylmethyl, 2,4-dichlorophenyl, and [para-(4-acetylpiperazin-1-yl)phenoxy]methyl groups, respectively.	2.87	3	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketoprofen Ketoprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It is used in the treatment of rheumatoid arthritis and osteoarthritis.. ketoprofen : An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2.	8.82	3	0	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
ketotifen Ketotifen: A cycloheptathiophene blocker of histamine H1 receptors and release of inflammatory mediators. It has been proposed for the treatment of asthma, rhinitis, skin allergies, and anaphylaxis.. ketotifen : An organic heterotricyclic compound that is 4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one which is substituted at position 4 by a 1-methylpiperidin-4-ylidene group. A blocker of histamine H1 receptors with a stabilising action on mast cells, it is used (usually as its hydrogen fumarate salt) for the treatment of asthma, where it may take several weeks to exert its full effect.	3.1	1	0	cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound	anti-asthmatic drug; H1-receptor antagonist
labetalol Labetalol: A salicylamide derivative that is a non-cardioselective blocker of BETA-ADRENERGIC RECEPTORS and ALPHA-1 ADRENERGIC RECEPTORS.. labetalol : A diastereoisomeric mixture of approximately equal amounts of all four possible stereoisomers ((R,S)-labetolol, (S,R)-labetolol, (S,S)-labetalol and (R,R)-labetalol). It is an adrenergic antagonist used to treat high blood pressure.. 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide : A member of the class of benzamides that is benzamide substituted by a hydroxy group at position 2 and by a 1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl group at position 5.	3.1	1	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
lamotrigine [no description available]	3.1	1	0	1,2,4-triazines; dichlorobenzene; primary arylamine	anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic
lauric acid dodecanoic acid : A straight-chain, twelve-carbon medium-chain saturated fatty acid with strong bactericidal properties; the main fatty acid in coconut oil and palm kernel oil.	4.01	4	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; antibacterial agent; plant metabolite
lorazepam Lorazepam: A benzodiazepine used as an anti-anxiety agent with few side effects. It also has hypnotic, anticonvulsant, and considerable sedative properties and has been proposed as a preanesthetic agent.	3.1	1	0	benzodiazepine
losartan Losartan: An antagonist of ANGIOTENSIN TYPE 1 RECEPTOR with antihypertensive activity due to the reduced pressor effect of ANGIOTENSIN II.. losartan : A biphenylyltetrazole where a 1,1'-biphenyl group is attached at the 5-position and has an additional trisubstituted imidazol-1-ylmethyl group at the 4'-position	3.1	1	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
loxapine Loxapine: An antipsychotic agent used in SCHIZOPHRENIA.	3.1	1	0	dibenzooxazepine	antipsychotic agent; dopaminergic antagonist
meperidine Meperidine: A narcotic analgesic that can be used for the relief of most types of moderate to severe pain, including postoperative pain and the pain of labor. Prolonged use may lead to dependence of the morphine type; withdrawal symptoms appear more rapidly than with morphine and are of shorter duration.. pethidine : A piperidinecarboxylate ester that is piperidine which is substituted by a methyl group at position 1 and by phenyl and ethoxycarbonyl groups at position 4. It is an analgesic which is used for the treatment of moderate to severe pain, including postoperative pain and labour pain.	3.1	1	0	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
mesalamine Mesalamine: An anti-inflammatory agent, structurally related to the SALICYLATES, which is active in INFLAMMATORY BOWEL DISEASE. It is considered to be the active moiety of SULPHASALAZINE. (From Martindale, The Extra Pharmacopoeia, 30th ed). mesalamine : A monohydroxybenzoic acid that is salicylic acid substituted by an amino group at the 5-position.	3.1	1	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
methyl salicylate methyl salicylate: used in over-the-counter liniments, ointments, lotions for relief of musculoskeletal aches and pains; has hemolytic effect on human & sheep erythrocytes; RN given refers to parent cpd; structure in Merck Index, 9th ed, #5990. methyl salicylate : A benzoate ester that is the methyl ester of salicylic acid.	3.78	10	0	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite
mexiletine Mexiletine: Antiarrhythmic agent pharmacologically similar to LIDOCAINE. It may have some anticonvulsant properties.. mexiletine : An aromatic ether which is 2,6-dimethylphenyl ether of 2-aminopropan-1-ol.	3.1	1	0	aromatic ether; primary amino compound	anti-arrhythmia drug
midazolam Midazolam: A short-acting hypnotic-sedative drug with anxiolytic and amnestic properties. It is used in dentistry, cardiac surgery, endoscopic procedures, as preanesthetic medication, and as an adjunct to local anesthesia. The short duration and cardiorespiratory stability makes it useful in poor-risk, elderly, and cardiac patients. It is water-soluble at pH less than 4 and lipid-soluble at physiological pH.. midazolam : An imidazobenzodiazepine that is 4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted by a methyl, 2-fluorophenyl and chloro groups at positions 1, 6 and 8, respectively.	2.04	1	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
mitoxantrone Mitoxantrone: An anthracenedione-derived antineoplastic agent.. mitoxantrone : A dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8.	3.1	1	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
muscimol Muscimol: A neurotoxic isoxazole isolated from species of AMANITA. It is obtained by decarboxylation of IBOTENIC ACID. Muscimol is a potent agonist of GABA-A RECEPTORS and is used mainly as an experimental tool in animal and tissue studies.. muscimol : A member of the class of isoxazoles that is 1,2-oxazol-3(2H)-one substituted by an aminomethyl group at position 5. It has been isolated from mushrooms of the genus Amanita.	7	1	0	alkaloid; isoxazoles; primary amino compound	fungal metabolite; GABA agonist; oneirogen; psychotropic drug
myristicin myristicin: asaricin is an isomer; structure; a methylene dioxy version of elemicin;	2.58	2	0	organic molecular entity	metabolite
deet N,N-diethyl-m-toluamide : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of m-toluic acid with the nitrogen of diethylamine. First developed by the U.S. Army in 1946 for use by military personnel in insect-infested areas, it is the most widely used insect repellent worldwide.	2.42	2	0	benzamides; monocarboxylic acid amide	environmental contaminant; insect repellent; xenobiotic
nortriptyline Nortriptyline: A metabolite of AMITRIPTYLINE that is also used as an antidepressive agent. Nortriptyline is used in major depression, dysthymia, and atypical depressions.. nortriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(methylamino)propylidene group at position 5. It is an active metabolite of amitriptyline.	3.1	1	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
ondansetron Ondansetron: A competitive serotonin type 3 receptor antagonist. It is effective in the treatment of nausea and vomiting caused by cytotoxic chemotherapy drugs, including cisplatin, and has reported anxiolytic and neuroleptic properties.	2.1	1	0	carbazoles
oxazepam Oxazepam: A benzodiazepine used in the treatment of anxiety, alcohol withdrawal, and insomnia.. oxazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a hydroxy group at position 3 and phenyl group at position 5.	3.1	1	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
oxidopamine Oxidopamine: A neurotransmitter analogue that depletes noradrenergic stores in nerve endings and induces a reduction of dopamine levels in the brain. Its mechanism of action is related to the production of cytolytic free-radicals.. oxidopamine : A benzenetriol that is phenethylamine in which the hydrogens at positions 2, 4, and 5 on the phenyl ring are replaced by hydroxy groups. It occurs naturally in human urine, but is also produced as a metabolite of the drug DOPA (used for the treatment of Parkinson's disease).	2.72	2	0	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
oxyphenbutazone Oxyphenbutazone: A non-steroidal anti-inflammatory drug. Oxyphenbutazone eyedrops have been used abroad in the management of postoperative ocular inflammation, superficial eye injuries, and episcleritis. (From AMA, Drug Evaluations Annual, 1994, p2000) It had been used by mouth in rheumatic disorders such as ankylosing spondylitis, osteoarthritis, and rheumatoid arthritis but such use is no longer considered justified owing to the risk of severe hematological adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p27). oxyphenbutazone : A metabolite of phenylbutazone obtained by hydroxylation at position 4 of one of the phenyl rings. Commonly used (as its hydrate) to treat pain, swelling and stiffness associated with arthritis and gout, it was withdrawn from the market 1984 following association with blood dyscrasis and Stevens-Johnson syndrome.	3.1	1	0	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite
aminosalicylic acid Aminosalicylic Acid: An antitubercular agent often administered in association with ISONIAZID. The sodium salt of the drug is better tolerated than the free acid.. 4-aminosalicylic acid : An aminobenzoic acid that is salicylic acid substituted by an amino group at position 4.	3.1	1	0	aminobenzoic acid; phenols	antitubercular agent
pentobarbital Pentobarbital: A short-acting barbiturate that is effective as a sedative and hypnotic (but not as an anti-anxiety) agent and is usually given orally. It is prescribed more frequently for sleep induction than for sedation but, like similar agents, may lose its effectiveness by the second week of continued administration. (From AMA Drug Evaluations Annual, 1994, p236). pentobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups.	2.45	2	0	barbiturates	GABAA receptor agonist
pheniramine Pheniramine: One of the HISTAMINE H1 ANTAGONISTS with little sedative action. It is used in treatment of hay fever, rhinitis, allergic dermatoses, and pruritus.	3.1	1	0	pyridines; tertiary amino compound
phenobarbital Phenobarbital: A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations.. phenobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups.	3.5	2	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenolphthalein Phenolphthalein: An acid-base indicator which is colorless in acid solution, but turns pink to red as the solution becomes alkaline. It is used medicinally as a cathartic.	3.1	1	0	phenols
phenolsulfonphthalein Phenolsulfonphthalein: Red dye, pH indicator, and diagnostic aid for determination of renal function. It is used also for studies of the gastrointestinal and other systems.. phenol red : 3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 4-hydroxyphenyl groups. A pH indicator changing colour from yellow below pH 6.8 to bright pink above pH 8.2, it is commonly used as an indicator in cell cultures and in home swimming pool test kits. It is also used in the (now infrequently performed) phenolsulfonphthalein (PSP) test for estimation of overall blood flow through the kidney.	3.1	1	0	2,1-benzoxathiole; arenesulfonate ester; phenols; sultone	acid-base indicator; diagnostic agent; two-colour indicator
phenylbutazone Phenylbutazone: A butyl-diphenyl-pyrazolidinedione that has anti-inflammatory, antipyretic, and analgesic activities. It has been used in ANKYLOSING SPONDYLITIS; RHEUMATOID ARTHRITIS; and REACTIVE ARTHRITIS.. phenylbutazone : A member of the class of pyrazolidines that is 1,2-diphenylpyrazolidine-3,5-dione carrying a butyl group at the 4-position.	3.1	1	0	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
potassium chloride Potassium Chloride: A white crystal or crystalline powder used in BUFFERS; FERTILIZERS; and EXPLOSIVES. It can be used to replenish ELECTROLYTES and restore WATER-ELECTROLYTE BALANCE in treating HYPOKALEMIA.. potassium chloride : A metal chloride salt with a K(+) counterion.	2.4	2	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
4-aminobenzoic acid para-Aminobenzoates: Benzoic acids, salts, or esters that contain an amino group attached to carbon number 4 of the benzene ring structure.. 4-aminobenzoate : An aromatic amino-acid anion that is the conjugate base of 4-aminobenzoic acid.	2.1	1	0	aminobenzoate; aromatic amino-acid anion	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
probenecid Probenecid: The prototypical uricosuric agent. It inhibits the renal excretion of organic anions and reduces tubular reabsorption of urate. Probenecid has also been used to treat patients with renal impairment, and, because it reduces the renal tubular excretion of other drugs, has been used as an adjunct to antibacterial therapy.. probenecid : A sulfonamide in which the nitrogen of 4-sulfamoylbenzoic acid is substituted with two propyl groups.	3.1	1	0	benzoic acids; sulfonamide	uricosuric drug
promethazine Promethazine: A phenothiazine derivative with histamine H1-blocking, antimuscarinic, and sedative properties. It is used as an antiallergic, in pruritus, for motion sickness and sedation, and also in animals.. promethazine : A tertiary amine that is a substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropan-2-amine moiety.	3.1	1	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
propofol Propofol: An intravenous anesthetic agent which has the advantage of a very rapid onset after infusion or bolus injection plus a very short recovery period of a couple of minutes. (From Smith and Reynard, Textbook of Pharmacology, 1992, 1st ed, p206). Propofol has been used as ANTICONVULSANTS and ANTIEMETICS.. propofol : A phenol resulting from the formal substitution of the hydrogen at the 2 position of 1,3-diisopropylbenzene by a hydroxy group.	4.06	2	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
propranolol Propranolol: A widely used non-cardioselective beta-adrenergic antagonist. Propranolol has been used for MYOCARDIAL INFARCTION; ARRHYTHMIA; ANGINA PECTORIS; HYPERTENSION; HYPERTHYROIDISM; MIGRAINE; PHEOCHROMOCYTOMA; and ANXIETY but adverse effects instigate replacement by newer drugs.. propranolol : A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3.	3.5	2	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
propyl gallate Propyl Gallate: Antioxidant for foods, fats, oils, ethers, emulsions, waxes, and transformer oils.	3.1	1	0	trihydroxybenzoic acid
pyrilamine Pyrilamine: A histamine H1 antagonist. It has mild hypnotic properties and some local anesthetic action and is used for allergies (including skin eruptions) both parenterally and locally. It is a common ingredient of cold remedies.. mepyramine : An ethylenediamine derivative that is ethylenediamine in which one of the amino nitrogens is substituted by two methyl groups and the remaining amino nitrogen is substituted by a 4-methoxybenzyl and a pyridin-2-yl group.	3.1	1	0	aromatic ether; ethylenediamine derivative	H1-receptor antagonist
1,2,5,8-tetrahydroxy anthraquinone 1,2,5,8-tetrahydroxy anthraquinone: structure in first source. quinalizarin : A tetrahydroxyanthraquinone having the four hydroxy groups at the 1-, 2-, 5- and 8-positions.	3.1	1	0	tetrahydroxyanthraquinone	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
safrole Safrole: A member of the BENZODIOXOLES that is a constituent of several VOLATILE OILS, notably SASSAFRAS oil. It is a precursor in the synthesis of the insecticide PIPERONYL BUTOXIDE and the drug N-methyl-3,4-methylenedioxyamphetamine (MDMA).. safrole : A member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted by an allyl group at position 5. It is found in several plants, including black pepper, cinnamon and nutmeg, and is present in several essential oils, notably that of sassafras. It has insecticidal properties and has been used as a topical antiseptic. Although not thought to pose a significant carcinogenic risk to humans, findings of weak carcinogenicity in rats have resulted in the banning of its (previously widespread) use in perfumes and soaps, and as a food additive.	3.11	5	0	benzodioxoles	flavouring agent; insecticide; metabolite; plant metabolite
salicylamide salamide: a major impurity of hydrochlorothiazide; structure in first source	3.52	2	0	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic
sulfadimethoxine Sulfadimethoxine: A sulfanilamide that is used as an anti-infective agent.. sulfadimethoxine : A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position.	3.1	1	0	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic
sulfamethoxazole Sulfamethoxazole: A bacteriostatic antibacterial agent that interferes with folic acid synthesis in susceptible bacteria. Its broad spectrum of activity has been limited by the development of resistance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p208). sulfamethoxazole : An isoxazole (1,2-oxazole) compound having a methyl substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 3-position.	2.15	1	0	isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic
sulfathiazole Sulfathiazole: A sulfathiazole compound that is used as a short-acting anti-infective agent. It is no longer commonly used systemically due to its toxicity, but may still be applied topically in combination with other drugs for the treatment of vaginal and skin infections, and is still used in veterinary medicine.. sulfathiazole : A 1,3-thiazole compound having a 4-aminobenzenesulfonamido group at the 2-position.	3.1	1	0	1,3-thiazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
sulfinpyrazone Sulfinpyrazone: A uricosuric drug that is used to reduce the serum urate levels in gout therapy. It lacks anti-inflammatory, analgesic, and diuretic properties.	3.1	1	0	pyrazolidines; sulfoxide	uricosuric drug
suprofen Suprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It inhibits prostaglandin synthesis and has been proposed as an anti-arthritic.. suprofen : An aromatic ketone that is thiophene substituted at C-2 by a 4-(1-carboxyethyl)benzoyl group.	3.1	1	0	aromatic ketone; monocarboxylic acid; thiophenes	antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
temazepam Temazepam: A benzodiazepine that acts as a GAMMA-AMINOBUTYRIC ACID modulator and anti-anxiety agent.	3.1	1	0	benzodiazepine
terfenadine Terfenadine: A selective histamine H1-receptor antagonist devoid of central nervous system depressant activity. The drug was used for ALLERGY but withdrawn due to causing LONG QT SYNDROME.	3.1	1	0	diarylmethane
tetraethylammonium Tetraethylammonium: A potassium-selective ion channel blocker. (From J Gen Phys 1994;104(1):173-90)	2.11	1	0	quaternary ammonium ion
theobromine Theobromine: 3,7-Dimethylxanthine. The principle alkaloid in Theobroma cacao (the cacao bean) and other plants. A xanthine alkaloid that is used as a bronchodilator and as a vasodilator. It has a weaker diuretic activity than THEOPHYLLINE and is also a less powerful stimulant of smooth muscle. It has practically no stimulant effect on the central nervous system. It was formerly used as a diuretic and in the treatment of angina pectoris and hypertension. (From Martindale, The Extra Pharmacopoeia, 30th ed, pp1318-9). theobromine : A dimethylxanthine having the two methyl groups located at positions 3 and 7. A purine alkaloid derived from the cacao plant, it is found in chocolate, as well as in a number of other foods, and is a vasodilator, diuretic and heart stimulator.	2.03	1	0	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent
thonzylamine thonzylamine: major descriptor (72-84); file-maintained to PYRIMIDINES	3.1	1	0	methoxybenzenes
tiaprofenic acid tiaprofenic acid: RN given refers to parent cpd; structure. tiaprofenic acid : An aromatic ketone that is thiophene substituted at C-2 by benzoyl and at C-4 by a 1-carboxyethyl group.	3.1	1	0	aromatic ketone; monocarboxylic acid; thiophenes	drug allergen; non-steroidal anti-inflammatory drug
triclosan [no description available]	2.05	1	0	aromatic ether; dichlorobenzene; monochlorobenzenes; phenols	antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic
trifluoperazine [no description available]	3.1	1	0	N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines	antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug
triflupromazine Triflupromazine: A phenothiazine used as an antipsychotic agent and as an antiemetic.. triflupromazine : A member of the class of phenothiazines that is 10H-phenothiazine having a trifluoromethyl subsitituent at the 2-position and a 3-(dimethylamino)propyl group at the N-10 position.	3.1	1	0	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
tripelennamine Tripelennamine: A histamine H1 antagonist with low sedative action but frequent gastrointestinal irritation. It is used to treat ASTHMA; HAY FEVER; URTICARIA; and RHINITIS; and also in veterinary applications. Tripelennamine is administered by various routes, including topically.	3.1	1	0	aromatic amine
zomepirac zomepirac: RN given refers to parent cpd; structure	3.1	1	0	aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles	cardiovascular drug; non-steroidal anti-inflammatory drug
corticosterone [no description available]	3.53	2	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
estriol hormonin: estrogen replacement; each tablet contains 600 ug micronized 17beta-estradiol, 270 ug estriol and 1.4 mg estrone. chlorapatite : A phosphate mineral with the formula Ca5(PO4)3Cl.	3.1	1	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
alloxan Alloxan: Acidic compound formed by oxidation of URIC ACID. It is isolated as an efflorescent crystalline hydrate.. alloxan : A member of the class of pyrimidones, the structure of which is that of perhydropyrimidine substituted at C-2, -4, -5 and -6 by oxo groups.	2.17	1	0	pyrimidone	hyperglycemic agent; metabolite
piperonyl butoxide [no description available]	6.97	1	0	benzodioxoles	pesticide synergist
2-aminophenol [no description available]	3.1	1	0	aminophenol	bacterial metabolite
thyroxine Thyroxine: The major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (MONOIODOTYROSINE) and the coupling of iodotyrosines (DIIODOTYROSINE) in the THYROGLOBULIN. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form TRIIODOTHYRONINE which exerts a broad spectrum of stimulatory effects on cell metabolism.. thyroxine : An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions.	3.1	1	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
aldosterone [no description available]	3.1	1	0	11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde	human metabolite; mouse metabolite
trichlorfon Trichlorfon: An organochlorophosphate cholinesterase inhibitor that is used as an insecticide for the control of flies and roaches. It is also used in anthelmintic compositions for animals. (From Merck, 11th ed). trichlorfon : A phosphonic ester that is dimethyl phosphonate in which the hydrogen atom attched to the phosphorous is substituted by a 2,2,2-trichloro-1-hydroxyethyl group.	1.99	1	0	organic phosphonate; organochlorine compound; phosphonic ester	agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide
tetrahydrocortisol [no description available]	3.1	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3alpha-hydroxy steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone
prednisone Prednisone: A synthetic anti-inflammatory glucocorticoid derived from CORTISONE. It is biologically inert and converted to PREDNISOLONE in the liver.. prednisone : A synthetic glucocorticoid drug that is particularly effective as an immunosuppressant, and affects virtually all of the immune system. Prednisone is a prodrug that is converted by the liver into prednisolone (a beta-hydroxy group instead of the oxo group at position 11), which is the active drug and also a steroid.	3.1	1	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug
tetrahydrocortisone [no description available]	3.1	1	0	21-hydroxy steroid
estrone Hydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens.	3.1	1	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
androsterone [no description available]	3.1	1	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid	androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone
etiocholanolone Etiocholanolone: The 5-beta-reduced isomer of ANDROSTERONE. Etiocholanolone is a major metabolite of TESTOSTERONE and ANDROSTENEDIONE in many mammalian species including humans. It is excreted in the URINE.. 3alpha-hydroxy-5beta-androstan-17-one : An androstanoid that is 5beta-androstane substituted by an alpha-hydroxy group at position 3 and an oxo group at position 17. It is a metabolite of testosterone in mammals.	3.1	1	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid	human metabolite; mouse metabolite
dehydroepiandrosterone Dehydroepiandrosterone: A major C19 steroid produced by the ADRENAL CORTEX. It is also produced in small quantities in the TESTIS and the OVARY. Dehydroepiandrosterone (DHEA) can be converted to TESTOSTERONE; ANDROSTENEDIONE; ESTRADIOL; and ESTRONE. Most of DHEA is sulfated (DEHYDROEPIANDROSTERONE SULFATE) before secretion.. dehydroepiandrosterone : An androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands.	3.1	1	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
hydroxyacetylaminofluorene Hydroxyacetylaminofluorene: A N-hydroxylated derivative of 2-ACETYLAMINOFLUORENE that has demonstrated carcinogenic action.	3.1	1	0	2-acetamidofluorenes
pentylenetetrazole Pentylenetetrazole: A pharmaceutical agent that displays activity as a central nervous system and respiratory stimulant. It is considered a non-competitive GAMMA-AMINOBUTYRIC ACID antagonist. Pentylenetetrazole has been used experimentally to study seizure phenomenon and to identify pharmaceuticals that may control seizure susceptibility.. pentetrazol : An organic heterobicyclic compound that is 1H-tetrazole in which the hydrogens at positions 1 and 5 are replaced by a pentane-1,5-diyl group. A central and respiratory stimulant, it was formerly used for the treatment of cough and other respiratory tract disorders, cardiovascular disorders including hypotension, and pruritis.	2.77	3	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
triiodothyronine Triiodothyronine: A T3 thyroid hormone normally synthesized and secreted by the thyroid gland in much smaller quantities than thyroxine (T4). Most T3 is derived from peripheral monodeiodination of T4 at the 5' position of the outer ring of the iodothyronine nucleus. The hormone finally delivered and used by the tissues is mainly T3.. 3,3',5-triiodo-L-thyronine : An iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism.	3.1	1	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
benz(a)anthracene benz(a)anthracene: 4 fused rings of which one is angular in contrast to the linear NAPHTHACENES. tetraphene : An angular ortho-fused polycyclic arene consisting of four fused benzene rings.	3.1	1	0	ortho-fused polycyclic arene; tetraphenes
chloramphenicol Amphenicol: Chloramphenicol and its derivatives.	3.55	2	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
allyl isothiocyanate allyl isothiocyanate: used in the manufacture of flavors, war gases; medical use as a counterirritant; structure. allyl isothiocyanate : An isothiocyanate with the formula CH2=CHCH2N=C=S. A colorless oil with boiling point 152degreeC, it is responsible for the pungent taste of mustard, horseradish, and wasabi.	2.6	1	0	alkenyl isothiocyanate; isothiocyanate	antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite
sucrose Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar.	2.43	2	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
ethinyl estradiol Ethinyl Estradiol: A semisynthetic alkylated ESTRADIOL with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally, and is often used as the estrogenic component in ORAL CONTRACEPTIVES.. 17alpha-ethynylestradiol : A 3-hydroxy steroid that is estradiol substituted by a ethynyl group at position 17. It is a xenoestrogen synthesized from estradiol and has been shown to exhibit high estrogenic potency on oral administration.	3.1	1	0	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
9,10-dimethyl-1,2-benzanthracene 9,10-Dimethyl-1,2-benzanthracene: Polycyclic aromatic hydrocarbon found in tobacco smoke that is a potent carcinogen.. 7,12-dimethyltetraphene : A tetraphene having methyl substituents at the 7- and 12-positions. It is a potent carcinogen and is present in tobacco smoke.	1.97	1	0	ortho-fused polycyclic arene; tetraphenes	carcinogenic agent
apomorphine Apomorphine: A derivative of morphine that is a dopamine D2 agonist. It is a powerful emetic and has been used for that effect in acute poisoning. It has also been used in the diagnosis and treatment of parkinsonism, but its adverse effects limit its use.	2.25	1	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
phenylephrine Phenylephrine: An alpha-1 adrenergic agonist used as a mydriatic, nasal decongestant, and cardiotonic agent.. phenylephrine : A member of the class of the class of phenylethanolamines that is (1R)-2-(methylamino)-1-phenylethan-1-ol carrying an additional hydroxy substituent at position 3 on the phenyl ring.	2.1	1	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
phenylethyl alcohol Phenylethyl Alcohol: An antimicrobial, antiseptic, and disinfectant that is used also as an aromatic essence and preservative in pharmaceutics and perfumery.. 2-phenylethanol : A primary alcohol that is ethanol substituted by a phenyl group at position 2.	3.15	5	0	benzenes; primary alcohol	Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite
cysteamine Cysteamine: A mercaptoethylamine compound that is endogenously derived from the COENZYME A degradative pathway. The fact that cysteamine is readily transported into LYSOSOMES where it reacts with CYSTINE to form cysteine-cysteamine disulfide and CYSTEINE has led to its use in CYSTINE DEPLETING AGENTS for the treatment of CYSTINOSIS.. cysteamine : An amine that consists of an ethane skeleton substituted with a thiol group at C-1 and an amino group at C-2.	2.17	1	0	amine; thiol	geroprotector; human metabolite; mouse metabolite; radiation protective agent
methicillin Methicillin: One of the PENICILLINS which is resistant to PENICILLINASE but susceptible to a penicillin-binding protein. It is inactivated by gastric acid so administered by injection.. methicillin : A penicillin that is 6-aminopenicillanic acid in which one of the amino hydrogens is replaced by a 2,6-dimethoxybenzoyl group.	2.21	1	0	penicillin allergen; penicillin	antibacterial drug
aniline [no description available]	3.1	1	0	anilines; primary arylamine
desoxycorticosterone Desoxycorticosterone: A steroid metabolite that is the 11-deoxy derivative of CORTICOSTERONE and the 21-hydroxy derivative of PROGESTERONE	3.1	1	0	20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
n-hexanal [no description available]	3.5	7	0	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	human urinary metabolite
oxacillin Oxacillin: An antibiotic similar to FLUCLOXACILLIN used in resistant staphylococci infections.. oxacillin : A penicillin antibiotic carrying a 5-methyl-3-phenylisoxazole-4-carboxamide group at position 6beta.	2.21	1	0	penicillin	antibacterial agent; antibacterial drug
norethindrone Norethindrone: A synthetic progestational hormone with actions similar to those of PROGESTERONE but functioning as a more potent inhibitor of ovulation. It has weak estrogenic and androgenic properties. The hormone has been used in treating amenorrhea, functional uterine bleeding, endometriosis, and for CONTRACEPTION.. norethisterone : A 17beta-hydroxy steroid that is testosterone in which the hydrogen at position 17 is replaced by an ethynyl group and in which the methyl group attached to position 10 is replaced by hydrogen.	3.1	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	progestin; synthetic oral contraceptive
norethynodrel Norethynodrel: A synthetic progestational hormone with actions and uses similar to those of PROGESTERONE. It has been used in the treatment of functional uterine bleeding and ENDOMETRIOSIS. As a contraceptive (CONTRACEPTIVE AGENTS), it has usually been administered in combination with MESTRANOL.	3.1	1	0	oxo steroid
17-alpha-hydroxyprogesterone 17alpha-hydroxyprogesterone : A 17alpha-hydroxy steroid that is the 17alpha-hydroxy derivative of progesterone.	3.1	1	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin
ampicillin Ampicillin: Semi-synthetic derivative of penicillin that functions as an orally active broad-spectrum antibiotic.. ampicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group.	3.1	1	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
n-pentanol n-pentanol: RN given refers to parent cpd. pentan-1-ol : A short-chain primary fatty alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Melicope ptelefolia.	4	13	0	pentanol; short-chain primary fatty alcohol	human metabolite; plant metabolite
alizarin [no description available]	3.1	1	0	dihydroxyanthraquinone	chromophore; dye; plant metabolite
tryptophan Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.. tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3.	2.1	1	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
ethylene Plastipore: high density polyethylene sponge biocompatible material; used as posts in dental bridges	2.02	1	0	alkene; gas molecular entity	plant hormone; refrigerant
ethylene oxide Ethylene Oxide: A colorless and flammable gas at room temperature and pressure. Ethylene oxide is a bactericidal, fungicidal, and sporicidal disinfectant. It is effective against most micro-organisms, including viruses. It is used as a fumigant for foodstuffs and textiles and as an agent for the gaseous sterilization of heat-labile pharmaceutical and surgical materials. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p794). oxirane : A saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom.	2.45	2	0	gas molecular entity; oxacycle; saturated organic heteromonocyclic parent	allergen; mouse metabolite; mutagen
tert-butyl alcohol tert-Butyl Alcohol: An isomer of butanol that contains a tertiary butyl group that consists of three methyl groups, each separately attached to a central (tertiary) carbon.. tert-butanol : A tertiary alcohol alcohol that is isobutane substituted by a hydroxy group at position 2.	2.01	1	0	tertiary alcohol	human xenobiotic metabolite
tert-butylhydroperoxide tert-Butylhydroperoxide: A direct-acting oxidative stress-inducing agent used to examine the effects of oxidant stress on Ca(2+)-dependent signal transduction in vascular endothelial cells. It is also used as a catalyst in polymerization reactions and to introduce peroxy groups into organic molecules.. tert-butyl hydroperoxide : An alkyl hydroperoxide in which the alkyl group is tert-butyl. It is widely used in a variety of oxidation processes.	2.05	1	0	alkyl hydroperoxide	antibacterial agent; oxidising agent
isoprene isoprene: used in manufacture of ''synthetic'' rubber, butyl rubber; copolymer in production of elastomers; structure. isoprene : A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds.	2.83	3	0	alkadiene; hemiterpene; volatile organic compound	plant metabolite
isobutyl alcohol isobutyl alcohol: RN given refers to parent cpd	2.01	1	0	alkyl alcohol; primary alcohol	Saccharomyces cerevisiae metabolite
acrylamide [no description available]	8.61	2	0	acrylamides; N-acylammonia; primary carboxamide	alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin
peracetic acid Peracetic Acid: A liquid that functions as a strong oxidizing agent. It has an acrid odor and is used as a disinfectant.. peracetic acid : A peroxy acid that is acetic acid in which the OH group is substituted by a hydroperoxy group. It is a versatile oxidising agent that is used as a disinfectant.	2.17	1	0	a peroxy acid	disinfectant; oxidising agent
camphene camphene : A monoterpene with a bicyclic skeleton that is bicyclo[2.2.1]heptane substituted by geminal methyl groups at position 2 and a methylidene group at position 3. It is a widespread natural product found in many essential oils.	2.54	2	0	carbobicyclic compound; monoterpene	fragrance; plant metabolite
terpin terpene : A hydrocarbon of biological origin having carbon skeleton formally derived from isoprene [CH2=C(CH3)CH=CH2].	2.05	1	0	p-menthane monoterpenoid
alpha-pinene [no description available]	6.11	37	0	pinene	plant metabolite
1,4-dihydroxyanthraquinone 1,4-dihydroxyanthraquinone: structure given in first source. quinizarin : A dihydroxyanthraquinone having the two hydroxy substituents at the 1- and 4-positions; formally derived from anthraquinone by replacement of two hydrogen atoms by hydroxy groups	3.1	1	0	dihydroxyanthraquinone	dye
cyclizine Cyclizine: A histamine H1 antagonist given by mouth or parenterally for the control of postoperative and drug-induced vomiting and in motion sickness. (From Martindale, The Extra Pharmacopoeia, 30th ed, p935). cyclizine : An N-alkylpiperazine in which one nitrogen of the piperazine ring is substituted by a methyl group, while the other is substituted by a diphenylmethyl group.	3.1	1	0	N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic
2,6-dihydroxyanthraquinone 2,6-dihydroxyanthraquinone: structure given in first source. anthraflavic acid : A dihydroxyanthraquinone that is anthracene substituted by hydroxy groups at C-3 and C-7 and oxo groups at C-9 and C-10.	3.1	1	0	dihydroxyanthraquinone	antimutagen; plant metabolite
9,10-anthraquinone 9,10-anthraquinone : An anthraquinone that is anthracene in which positions 9 and 10 have been oxidised to carbonyls.	3.1	1	0	anthraquinone
diethyl phthalate diethyl phthalate: structure. diethyl phthalate : The diethyl ester of benzene-1,2-dicarboxylic acid.	2	1	0	diester; ethyl ester; phthalate ester	neurotoxin; plasticiser; teratogenic agent
n-vinyl-2-pyrrolidinone N-vinyl-2-pyrrolidinone: monomer of POVIDONE; structure given in first source	2.01	1	0	pyrrolidin-2-ones
piperitone piperitone: from Mentha longifolia var. chorodictya Rech F; structure in first source. piperitone : A p-menthane monoterpenoid that is cyclohex-2-en-1-one substituted by a methyl group at position 3 and an isopropyl group at position 6.	2.17	1	0	cyclic terpene ketone; p-menthane monoterpenoid	plant metabolite; volatile oil component
thymol Thymol: A phenol obtained from thyme oil or other volatile oils used as a stabilizer in pharmaceutical preparations, and as an antiseptic (antibacterial or antifungal) agent.. thymol : A phenol that is a natural monoterpene derivative of cymene.	6.37	48	0	monoterpenoid; phenols	volatile oil component
1-naphthol 1-naphthol: RN given refers to parent cpd. 1-naphthol : A naphthol carrying a hydroxy group at position 1.. hydroxynaphthalene : Any member of the class of naphthalenes that is naphthalene carrying one or more hydroxy groups.	3.1	1	0	naphthol	genotoxin; human xenobiotic metabolite
2-aminodiphenyl aminobiphenyl : Any member of the class of biphenyls in which the biphenyl skeleton is substituted by at least one amino group.	3.1	1	0
2-phenylphenol 2-phenylphenol: RN given refers to parent cpd; structure. biphenyl-2-ol : A member of the class of hydroxybiphenyls that is biphenyl substituted by a hydroxy group at position 2. It is generally used as a post-harvest fungicide for citrus fruits.	3.1	1	0	hydroxybiphenyls	antifungal agrochemical; environmental food contaminant
quinoxalines quinoxaline : A naphthyridine in which the nitrogens are at positions 1 and 4.	2.11	1	0	mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene
quinoline [no description available]	3.1	1	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines
2-naphthylamine 2-Naphthylamine: A naphthalene derivative with carcinogenic action.. 2-naphthylamine : A naphthylamine carrying the amino group at position 2.	3.1	1	0	naphthylamine	carcinogenic agent
4-biphenylamine 4-biphenylamine: used in detection of sulfates, & as a carcinogen in cancer research; RN given refers to parent cpd; structure. biphenyl-4-amine : An aminobiphenyl that is biphenyl substituted by an amino group at position 4.	3.1	1	0	aminobiphenyl	carcinogenic agent
4-phenylphenol 4-phenylphenol: RN given refers to cpd without isomeric designation. biphenyl-4-ol : A member of the class of hydroxybiphenyls that is biphenyl carrying a hydroxy group at position 4.	3.1	1	0	hydroxybiphenyls
benzidine benzidine: RN given refers to parent cpd. benzidine : A member of the class of biphenyls that is 1,1'-biphenyl in which the hydrogen at the para-position of each phenyl group has been replaced by an amino group.	3.1	1	0	biphenyls; substituted aniline	carcinogenic agent
4,4'-dihydroxybiphenyl biphenyl-4,4'-diol : A member of the class of hydroxybiphenyls that is biphenyl with hydroxy groups at positions 4 and 4'.	3.1	1	0	hydroxybiphenyls
methyleugenol methyleugenol: structure	3.53	8	0	phenylpropanoid
methyl benzoate methyl benzoate : A benzoate ester obtained by condensation of benzoic acid and methanol.	2.42	2	0	benzoate ester; methyl ester	insect attractant; metabolite
propylparaben Parabens: Methyl, propyl, butyl, and ethyl esters of p-hydroxybenzoic acid. They have been approved by the FDA as antimicrobial agents for foods and pharmaceuticals. (From Hawley's Condensed Chemical Dictionary, 11th ed, p872)	3.54	2	0	benzoate ester; paraben; phenols	antifungal agent; antimicrobial agent
butylphen butylphen: irritant; structure. 4-tert-butylphenol : A member of the class of phenols that is phenol substituted with a tert-butyl group at position 4.	3.1	1	0	phenols	allergen
methylphenyl carbinol 1-phenylethanol : An aromatic alcohol that is ethanol substituted by a phenyl group at position 1.. methylbenzyl alcohol : Members of the class of benzyl alcohols substituted by at least one methyl group.	2.07	1	0	aromatic alcohol	mouse metabolite
carveol carveol: structure given in first source; prolongs tumor latency and decreases tumor yield. carveol : A limonene monoterpenoid that is cyclohex-2-en-1-ol substituted by a methyl group at position 2 and a prop-1-en-2-yl group at position 5.	2.15	1	0	limonene monoterpenoid	plant metabolite; volatile oil component
carvone carvone: an oxidized derivative of limonene; RN given refers to cpd without isomeric designation; L-carvone has spearmint flavor, D-carvone has dill/caraway flavor. carvone : A p-menthane monoterpenoid that consists of cyclohex-2-enone having methyl and isopropenyl substituents at positions 2 and 5, respectively.	8.32	6	0	botanical anti-fungal agent; carvones	allergen
methylparaben methylparaben: used as a preservative in cosmetics but potentiates UV-induced damage of skin; RN given refers to parent cpd. methylparaben : A 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries.	3.52	2	0	paraben	antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite
alpha phellandrene alpha phellandrene: can be irritating to, & absorbed by the skin; ingestion can cause vomiting, diarrhea; RN given refers to cpd without isomeric designation; structure. alpha-phellandrene : One of a pair of phellandrene cyclic monoterpene double-bond isomers in which both double bonds are endocyclic (cf. alpha-phellandrene, where one of them is exocyclic).	2.66	2	0	cyclohexadiene; phellandrene	antimicrobial agent; plant metabolite; volatile oil component
gamma-terpinene gamma-terpinene: RN given refers to gamma-terpinene; structure. gamma-terpinene : One of three isomeric monoterpenes differing in the positions of their two double bonds (alpha- and beta-terpinene being the others). In gamma-terpinene the double bonds are at the 1- and 4-positions of the p-menthane skeleton.	4.67	26	0	cyclohexadiene; monoterpene	antioxidant; human xenobiotic metabolite; plant metabolite; volatile oil component
alpha-terpinene [no description available]	2.06	1	0	cyclohexadiene; monoterpene	plant metabolite; volatile oil component
4-cymene 4-cymene: structure. p-cymene : A monoterpene that is toluene substituted by an isopropyl group at position 4.	4.64	25	0	monoterpene; toluenes	human urinary metabolite; plant metabolite; volatile oil component
4-isopropylphenol [no description available]	3.1	1	0	phenols	flavouring agent
4-hydroxyacetophenone 4-hydroxyacetophenone: promotes secretion of bile & bile salts, which promotes griseofulvin absorption in the duodenum. 4'-hydroxyacetophenone : A monohydroxyacetophenone carrying a hydroxy substituent at position 4'.	3.1	1	0	monohydroxyacetophenone	fungal metabolite; mouse metabolite; plant metabolite
anisole anisole : A monomethoxybenzene that is benzene substituted by a methoxy group.	2.08	1	0	monomethoxybenzene	plant metabolite
4-benzylphenol 4-benzylphenol: metabolite of diphenylmethane; RN given refers to parent cpd	3.52	2	0
2-ethylhexanol [no description available]	3.1	1	0	primary alcohol	plant metabolite; volatile oil component
ethyl butyrate ethyl butyrate : A butyrate ester resulting from the formal condensation of the hydroxy group of ethanol with the carboxy group of butyric acid.	2.01	1	0	butyrate ester	plant metabolite
citronellyl formate citronellyl formate: a volatile oil from Pelargonium graveoleus	2.53	2	0	carboxylic ester
3,7-dimethyloctan-1-ol 3,7-dimethyloctan-1-ol: penetration enhancer for transdermal delivery of 5-fluorouracil; ligand for odorant-binding protein; RN given refers to parent cpd	2.13	1	0	aliphatic alcohol
citronellal citronellal: aldehyde of citronellol; found in citronella oil. citronellal : A monoterpenoid, the main component of citronella oil which gives it its distinctive lemon aroma.	9.11	4	0	aldehyde; monoterpenoid	antifungal agent; metabolite
4-phenylenediamine 4-phenylenediamine: agent hair dye responsible for contact dermatitis; RN given refers to parent cpd. 1,4-phenylenediamine : A phenylenediamine in which the amino functions are at positions 1 and 4 of the benzene nucleus.	2.15	1	0	phenylenediamine	allergen; dye; hapten; reagent
methyl caproate methyl hexanoate : A fatty acid methyl ester derived from hexanoic (caproic acid).	2.04	1	0	fatty acid methyl ester; hexanoate ester	flavouring agent; plant metabolite
acrolein [no description available]	4.56	7	0	enal	herbicide; human xenobiotic metabolite; toxin
hydroxycitronellal hydroxycitronellal : The tertiary alcohol arising from addition of water across the C=C double bond of citronellal.	6.96	1	0	tertiary alcohol	allergen; fragrance
2-methylpentane Hexanes: Six-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives. Various polyneuropathies are caused by hexane poisoning.	2.05	1	0	alkane
2-pentanone pentanone : Any ketone that is pentane substituted by an oxo group at unspecified position.	2.25	1	0	methyl ketone; pentanone	plant metabolite
cyclohexanol Cyclohexanols: Monohydroxy derivatives of cyclohexanes that contain the general formula R-C6H11O. They have a camphorlike odor and are used in making soaps, insecticides, germicides, dry cleaning, and plasticizers.. cyclohexanols : An alcohol in which one or more hydroxy groups are attached to a cyclohexane skeleton.	10.38	54	0	cyclohexanols; secondary alcohol	solvent
n-pentanoic acid n-pentanoic acid: RN given refers to unlabeled parent cpd. valeric acid : A straight-chain saturated fatty acid containing five carbon atoms.	2.05	1	0	short-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
pentane Pentanes: Five-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. pentane : A straight chain alkane consisting of 5 carbon atoms.	2.49	2	0	alkane; volatile organic compound	non-polar solvent; refrigerant
tetrahydrofuran oxolane : A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen.	7	1	0	cyclic ether; oxolanes; saturated organic heteromonocyclic parent; volatile organic compound	polar aprotic solvent
2-heptanone heptan-2-one : A dialkyl ketone with methyl and pentyl as the alkyl groups.	2.44	2	0	dialkyl ketone; methyl ketone	mouse metabolite; pheromone
n-hexane hexane : An unbranched alkane containing six carbon atoms.	2.05	1	0	alkane; volatile organic compound	neurotoxin; non-polar solvent
pentanal pentanal : A saturated fatty aldehyde composed from five carbons in a straight chain.	2.02	1	0	saturated fatty aldehyde	plant metabolite
1-hexanol 1-hexanol: RN given refers to parent cpd. hexanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of six carbon atoms.. hexan-1-ol : A primary alcohol that is hexane substituted by a hydroxy group at position 1.	4.24	17	0	hexanol; primary alcohol	alarm pheromone; antibacterial agent; fragrance; plant metabolite
diethylene glycol glycol ether : A hydroxyether which contains both an ether and alcohol functional groups. It is one of the most versatile classes of organic solvents which are commonly used in paints, cleaners, adhesives, pharmaceuticals and cosmetics.	2.11	1	0	hydroxyether
heptanol Heptanol: A colorless liquid with a fragrant odor. It is used as an intermediate, solvent and in cosmetics.. heptanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of seven carbon atoms.. heptan-1-ol : A primary alcohol that is heptane substituted by a hydroxy group at position 1. It has been isolated from Capillipedium parviflorum.	3.15	5	0	heptanol; primary alcohol	flavouring agent; fragrance; gap junctional intercellular communication inhibitor; plant metabolite
heptanal heptanal : An n-alkanal resulting from the oxidation of the alcoholic hydroxy group of heptan-1-ol to the corresponding aldehyde. An endogenous aldehyde coming from membrane lipid oxidation, it is found in the blood of lung cancer patients and has been regarded as a potential biomarker of lung cancer.	2.48	2	0	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	biomarker
undecan-2-one undecan-2-one: Insect Repellents; 2-undecanone is the active ingredient of arthropod repellent BioUD; an efficacious alternative to deet. undecan-2-one : A dialkyl ketone with methyl and nonyl as the two alkyl groups.	2.06	1	0	dialkyl ketone; methyl ketone	plant metabolite; rodenticide
n-decyl alcohol n-decyl alcohol: RN given refers to parent cpd. decanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of ten carbon atoms.. decan-1-ol : A fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of ten carbon atoms.	2.71	3	0	decanol; primary alcohol	metabolite; pheromone; protic solvent
decanaldehyde decanal : A saturated fatty aldehyde formally arising from reduction of the carboxy group of capric acid (decanoic acid).	3.54	8	0	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	antifungal agent; fragrance; plant metabolite
undecan-1-ol undecan-1-ol : A primary alcohol that is undecane substituted by a hydroxy group at position 1.. undecanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of eleven carbon atoms.	1.98	1	0	primary alcohol; undecanol	flavouring agent; plant metabolite
dodecanol Dodecanol: A saturated 12-carbon fatty alcohol obtained from coconut oil fatty acids. It has a floral odor and is used in detergents, lubricating oils, and pharmaceuticals. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). dodecanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of twelve carbon atoms.. dodecan-1-ol : A primary alcohol that is dodecane in which a hydrogen from one of the methyl groups is replaced by a hydroxy group. It is registered for use in apple and pear orchards as a Lepidopteran pheromone/sex attractant, used to disrupt the mating behaviour of certain moths whose larvae destroy crops.	2.4	2	0	dodecanol; primary alcohol	bacterial metabolite; cosmetic; insect attractant; insecticide; pheromone; plant metabolite
1-tridecanol 1-tridecanol: RN given refers to parent cpd. tridecan-1-ol : A long-chain primary fatty alcohol that is tridecane substituted by a hydroxy group at position 1.. tridecanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of thirteen carbon atoms.	1.98	1	0	long-chain primary fatty alcohol; tridecanol	bacterial metabolite; human metabolite; plant metabolite
myristyl alcohol myristyl alcohol: RN given refers to parent cpd. tetradecan-1-ol : A long-chain fatty alcohol that is tetradecane substituted by a hydroxy group at position 1.. tetradecanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of fourteen carbon atoms.	1.98	1	0	long-chain primary fatty alcohol; tetradecanol	pheromone; plant metabolite; volatile oil component
stearyl alcohol octadecan-1-ol : A long-chain primary fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of 18 carbon atoms.. octadecanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of eighteen carbon atoms.	2.4	2	0	long-chain primary fatty alcohol; octadecanol	algal metabolite; human metabolite; plant metabolite
3-hydroxy-3-methylbutene 3-hydroxy-3-methylbutene: narcotic, sleep-producing principle from hops; RN given refers to parent cpd. 3-hydroxy-3-methylbut-1-ene : A tertiary alcohol that is 3-methylbut-1-ene carrying a hydroxy substituent at position 3.	2.1	1	0	olefinic compound; tertiary alcohol	animal metabolite; fragrance; pheromone; plant metabolite
2,2,2-trichloroethanol [no description available]	3.1	1	0	chloroethanol	mouse metabolite
linalyl acetate linalyl acetate: structure in first source; RN refers to cpd without isomeric designation. linalyl acetate : A racemate comprising equimolar amounts of (R)- and (S)-linalyl acetate. It forms a principal component of the essential oils from bergamot and lavender.. 3,7-dimethylocta-1,6-dien-3-yl acetate : A monoterpenoid that is the acetate ester of linalool. It forms a principal component of the essential oils from bergamot and lavender.	10.31	51	2	acetate ester; monoterpenoid
anthrarufin 1,5-dihydroxyanthraquinone: used in ferric ion sensing as an inclusion complex with beta-cyclodextrin; structure in first source. anthrarufin : A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 5.	3.1	1	0	dihydroxyanthraquinone
benzyl salicylate benzyl salicylate: structure given in Merck	2.11	1	0	benzoate ester; phenols
2-toluic acid 2-toluic acid: RN given refers to parent cpd; structure. o-toluic acid : A methylbenzoic acid that is benzoic acid substituted by a methyl group at position 2.	3.1	1	0	methylbenzoic acid	xenobiotic metabolite
ethyl-p-hydroxybenzoate ethyl-p-hydroxybenzoate: structure	3.1	1	0	ethyl ester; paraben	antifungal agent; antimicrobial food preservative; phytoestrogen; plant metabolite
piperonal piperonal: has been used as a pediculicide; structure. piperonal : An arenecarbaldehyde that is 1,3-benzodioxole substituted by a formyl substituent at position 5. It has been isolated from Piper nigrum.	2.07	1	0	arenecarbaldehyde; benzodioxoles	fragrance; insect repellent; plant metabolite
3-tert-butyl-4-hydroxyanisole 3-tert-butyl-4-hydroxyanisole : An aromatic ether that is 4-methoxyphenol in which one of the hydrogens ortho- to the phenolic hydroxy group is replaced by a tert-butyl group.	3.1	1	0	aromatic ether; phenols	antioxidant; human xenobiotic metabolite
vanillic acid Vanillic Acid: A flavoring agent. It is the intermediate product in the two-step bioconversion of ferulic acid to vanillin. (J Biotechnol 1996;50(2-3):107-13).. vanillic acid : A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3.	2.05	1	0	methoxybenzoic acid; monohydroxybenzoic acid	plant metabolite
methyl anthranilate methyl anthranilate : A benzoate ester that is the methyl ester of anthranilic acid.	2.47	2	0	benzoate ester	flavouring agent; metabolite
1-naphthylamine 1-Naphthylamine: A suspected industrial carcinogen (and listed as such by OSHA). Its N-hydroxy metabolite is strongly carcinogenic and mutagenic.. naphthylamine : A primary arylamine that is naphthalene substituted by an amino group at unspecified position.. 1-naphthylamine : A naphthylamine that is naphthalene substituted by an amino group at position 1.	3.1	1	0	naphthylamine	human xenobiotic metabolite
2-naphthol 2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent.	3.1	1	0	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger
shikimic acid Shikimic Acid: A tri-hydroxy cyclohexene carboxylic acid important in biosynthesis of so many compounds that the shikimate pathway is named after it.. shikimic acid : A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid substituted by hydroxy groups at positions 3, 4 and 5 (the 3R,4S,5R stereoisomer). It is an intermediate metabolite in plants and microorganisms.	3.1	1	0	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
benzyl acetate benzyl acetate : The acetate ester of benzyl alcohol.	7.77	3	0	acetate ester; benzyl ester	metabolite
benzyl cyanide benzyl cyanide: reversible monoamine oxidase inhibitor	2.06	1	0	benzenes; nitrile	animal metabolite; pheromone
estragole estragole : A phenylpropanoid that is chavicol in which the hydroxy group is replaced by a methoxy group.	9.2	16	0	alkenylbenzene; monomethoxybenzene; phenylpropanoid	carcinogenic agent; flavouring agent; genotoxin; insect attractant; plant metabolite
citronellol citronellol: alcohol form of citronellal; found in rose oil; RN given refers to parent cpd without isomeric designation; structure. citronellol : A monoterpenoid that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7.. insect repellent : An insecticide that acts as a repellent to insects.	5.69	24	0	monoterpenoid	plant metabolite
ethyl acetate ethyl acetate : The acetate ester formed between acetic acid and ethanol.	2.43	2	0	acetate ester; ethyl ester; volatile organic compound	EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite
hexanoic acid hexanoic acid : A C6, straight-chain saturated fatty acid.	3.52	2	0	medium-chain fatty acid; straight-chain saturated fatty acid	human metabolite; plant metabolite
1-nonanol nonanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of nine carbon atoms.. nonan-1-ol : A nonanol that is nonane substituted by a hydroxy group at position 1. It has been isolated as a component of volatile oils from plants like Hordeum vulgare.	2.4	2	0	nonanol; primary alcohol	antifungal agent; flavouring agent; plant metabolite; volatile oil component
pregnenolone [no description available]	3.1	1	0	20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid	human metabolite; mouse metabolite
ditiocarb Ditiocarb: A chelating agent that has been used to mobilize toxic metals from the tissues of humans and experimental animals. It is the main metabolite of DISULFIRAM.. diethyldithiocarbamic acid : A member of the class of dithiocarbamic acids that is diethylcarbamic acid in which both of the oxygens are replaced by sulfur.	3.1	1	0	dithiocarbamic acids	chelator; copper chelator
mequinol mequinol: depigmenting agent; RN given refers to parent cpd	3.1	1	0	methoxybenzenes; phenols	metabolite
citronellyl acetate citronellyl acetate: RN given refers to cpd without isomeric designation. citronellol acetate : A monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix.	2.48	2	0	acetate ester; monoterpenoid	plant metabolite
catechin Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.. catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.. rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin. (+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite.	4.77	5	0	catechin	antioxidant; plant metabolite
phenetidine Phenetidine: Used in the manufacture of acetophenetidin.. 4-ethoxyaniline : An aromatic ether that is aniline in which the hydrogen at position 4 is replaced by an ethoxy group. It is a hydrolysis metabolite of phenacetin.	3.1	1	0	aromatic ether; primary amino compound; substituted aniline	drug metabolite
cyclopentane Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution.	4.47	21	0	cycloalkane; cyclopentanes; volatile organic compound	non-polar solvent
oxazoles Oxazoles: Five-membered heterocyclic ring structures containing an oxygen in the 1-position and a nitrogen in the 3-position, in distinction from ISOXAZOLES where they are at the 1,2 positions.. 1,3-oxazole : A five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3.. oxazole : An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom.	2.17	1	0	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
thiazoles [no description available]	2.44	2	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
hydrazine diamine : Any polyamine that contains two amino groups.	2.44	2	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
4-hydroxyphenobarbital [no description available]	3.1	1	0	barbiturates
lithocholic acid Lithocholic Acid: A bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic.. lithocholic acid : A monohydroxy-5beta-cholanic acid with a alpha-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action.. lithocholate : A bile acid anion that is the conjugate base of lithocholic acid.	3.1	1	0	bile acid; C24-steroid; monohydroxy-5beta-cholanic acid	geroprotector; human metabolite; mouse metabolite
fluorobenzenes Fluorobenzenes: Derivatives of BENZENE that contain FLUORINE.. monofluorobenzene : The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent.. fluorobenzenes : Any fluoroarene that is a benzene or a substituted benzene carrying at least one fluoro group.	2.87	3	0	monofluorobenzenes	NMR chemical shift reference compound
1,4-cineole 1,4-cineole: monoterpene; flavor component of lime Citrus medica L. var acida; structure given in first source. 1,4-cineole : An oxabicycloalkane consisting of p-menthane with an epoxy bridge across positions 1 and 4.	2.07	1	0
chenodeoxycholic acid Chenodeoxycholic Acid: A bile acid, usually conjugated with either glycine or taurine. It acts as a detergent to solubilize fats for intestinal absorption and is reabsorbed by the small intestine. It is used as cholagogue, a choleretic laxative, and to prevent or dissolve gallstones.. chenodeoxycholic acid : A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively.. chenodeoxycholate : Conjugate base of chenodeoxycholic acid; major species at pH 7.3.	3.1	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
epitestosterone Epitestosterone: The 17-alpha isomer of TESTOSTERONE, derived from PREGNENOLONE via the delta5-steroid pathway, and via 5-androstene-3-beta,17-alpha-diol. Epitestosterone acts as an antiandrogen in various target tissues. The ratio between testosterone/epitestosterone is used to monitor anabolic drug abuse.. epitestosterone : An androstanoid that is the C-17 epimer of testosterone.	3.1	1	0	17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen antagonist; human metabolite
chrysophanic acid chrysophanic acid: RN given refers to parent cpd; structure in Merck, 9th ed, #2260. chrysophanol : A trihydroxyanthraquinone that is chrysazin with a methyl substituent at C-3. It has been isolated from Aloe vera and exhibits antiviral and anti-inflammatory activity.	3.1	1	0	dihydroxyanthraquinone	anti-inflammatory agent; antiviral agent; plant metabolite
thymoquinone thymoquinone: constituent of cedarwood; can cause dermatitis; structure. thymoquinone : A member of the class of 1,4-benzoquinones that is 1,4-bezoquinone in which the hydrogens at positions 2 and 5 are replaced by methyl and isopropyl groups, respectively. It is a natural compound isolated from Nigella sativa which has demonstrated promising chemotherapeutic activity.	2.1	1	0	1,4-benzoquinones	adjuvant; anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; cardioprotective agent; plant metabolite
carvacrol carvacrol : A phenol that is a natural monoterpene derivative of cymene. An inhibitor of bacterial growth, it is used as a food additive. Potent activator of the human ion channels transient receptor potential V3 (TRPV3) and A1 (TRPA1).	6.24	41	0	botanical anti-fungal agent; p-menthane monoterpenoid; phenols	agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component
citronellic acid citronellic acid: structure in first source. citronellic acid : A monounsaturated fatty acid that is oct-6-enoic acid carrying methyl groups at positions 3 and 7.	2.07	1	0	medium-chain fatty acid; monoterpenoid; monounsaturated fatty acid	flavouring agent; plant metabolite
isovaleric acid isovaleric acid: structure. isovaleric acid : A C5, branched-chain saturated fatty acid.	2.75	3	0	branched-chain saturated fatty acid; methylbutyric acid; short-chain fatty acid	mammalian metabolite; plant metabolite
abietic acid abietic acid : An abietane diterpenoid that is abieta-7,13-diene substituted by a carboxy group at position 18.	1.98	1	0	abietane diterpenoid; monocarboxylic acid	plant metabolite
myrtenol myrtenol: fragrance ingredient; structure in first source	2.77	3	0
androstenediol Androstenediol: An intermediate in TESTOSTERONE biosynthesis, found in the TESTIS or the ADRENAL GLANDS. Androstenediol, derived from DEHYDROEPIANDROSTERONE by the reduction of the 17-keto group (17-HYDROXYSTEROID DEHYDROGENASES), is converted to TESTOSTERONE by the oxidation of the 3-beta hydroxyl group to a 3-keto group (3-HYDROXYSTEROID DEHYDROGENASES).. androst-5-ene-3beta,17beta-diol : A 3beta-hydroxy-Delta(5)-steroid that is 3beta-hydroxyandrost-5-ene carrying an additional hydroxy group at position 17beta.	3.1	1	0	17beta-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid	androgen; human metabolite; mouse metabolite; radiation protective agent
dihydrotestosterone Dihydrotestosterone: A potent androgenic metabolite of TESTOSTERONE. It is produced by the action of the enzyme 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE.. 17beta-hydroxyandrostan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4-5 double bond has been reduced to a single bond with unspecified configuration at position 5.. 17beta-hydroxy-5alpha-androstan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4,5 double bond has been reduced to a single bond with alpha-configuration at position 5.	3.1	1	0	17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
chamazulene chamazulene: structure	2.03	1	0	sesquiterpenoid
1,2,3,4-tetrahydro-1-naphthalenol 1,2,3,4-tetrahydro-1-naphthalenol: structure in first source	3.1	1	0
tropolone Tropolone: A seven-membered aromatic ring compound. It is structurally related to a number of naturally occurring antifungal compounds (ANTIFUNGAL AGENTS).. tropolone : A cyclic ketone that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2. It is a toxin produced by the agricultural pathogen Burkholderia plantarii.	2.05	1	0	alpha-hydroxy ketone; cyclic ketone; enol	bacterial metabolite; fungicide; toxin
4-iodophenol [no description available]	3.1	1	0	iodophenol
malondialdehyde Malondialdehyde: The dialdehyde of malonic acid.. malonaldehyde : A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form.	3.44	6	0	dialdehyde	biomarker
3-hexen-1-ol 3-hexen-1-ol: RN given refers to (Z)-isomer; a green odor chemical. hex-3-en-1-ol : A primary alcohol that is hex-3-ene substituted by a hydroxy group at position 1.	3.76	10	0	alkenyl alcohol; homoallylic alcohol; primary alcohol; volatile organic compound	plant metabolite
myristic acid Myristic Acid: A saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils. It is used to synthesize flavor and as an ingredient in soaps and cosmetics. (From Dorland, 28th ed). tetradecanoic acid : A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat.. tetradecanoate : A long-chain fatty acid anion that is the conjugate base of myristic acid; major species at pH 7.3.	3.54	2	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite
beta-phellandrene [no description available]	2.21	1	0	phellandrene	plant metabolite
prenol [no description available]	2.45	2	0	alkenyl alcohol; prenols
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol 4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol: structure in first source. 4-terpineol : A terpineol that is 1-menthene carrying a hydroxy substituent at position 4.	5.14	14	0	terpineol; tertiary alcohol	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiparasitic agent; apoptosis inducer; plant metabolite; volatile oil component
6-methylsalicylic acid 6-methylsalicylic acid: structure. 6-methylsalicylic acid : A monohydroxybenzoic acid that is salicylic acid in which the hydrogen ortho to the carboxylic acid group is substituted by a methyl group.	1.98	1	0	monohydroxybenzoic acid	Penicillium metabolite; plant metabolite
3-hydroxyflavone 3-hydroxyflavone: structure given in first source. flavonol : A monohydroxyflavone that is the 3-hydroxy derivative of flavone.	3.1	1	0	flavonols; monohydroxyflavone
6-hydroxyquinoline quinolin-6-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 6.	3.1	1	0	monohydroxyquinoline
3-hydroxybiphenyl 3-hydroxybiphenyl: structure given in first source. biphenyl-3-ol : A member of the class of hydroxybiphenyls that is phenol in which the hydrogen at position 3 has been replaced by a phenyl group.	3.1	1	0	hydroxybiphenyls
potassium carbonate potassium carbonate : A potassium salt that is the dipotassium salt of carbonic acid.	3.11	1	0	carbonate salt; potassium salt	catalyst; fertilizer; flame retardant
allethrins Allethrins: Synthetic analogs of the naturally occurring insecticides cinerin, jasmolin, and pyrethrin. (From Merck Index, 11th ed)	2.31	1	0	cyclopropanecarboxylate ester	pyrethroid ester insecticide
terpinolene [no description available]	3.29	6	0	p-menthadiene	insect repellent; plant metabolite; sedative; volatile oil component
diphenylamine Diphenylamine: In humans it may be irritating to mucous membranes. Methemoglobinemia has been produced experimentally. In veterinary use, it is one of active ingredients in topical agents for prevention and treatment of screwworm infestation. An indicator in tests for nitrate poisoning.. diphenylamine : An aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union.	3.1	1	0	aromatic amine; bridged diphenyl fungicide; secondary amino compound	antifungal agrochemical; antioxidant; carotogenesis inhibitor; EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor; ferroptosis inhibitor; radical scavenger
4-methylcyclohexanol 4-methylcyclohexanol: RN given refers to cpd without isomeric designation	2.03	1	0
3-aminophenol 3-aminophenol: RN given refers to parent cpd. 3-aminophenol : An aminophenol that is one of three amino derivatives of phenol which has the single amino substituent located meta to the phenolic -OH group.	2.13	1	0	aminophenol
iodobenzene iodobenzene: RN given refers to unlabeled parent cpd	2.17	1	0
methyl n-butyl ketone Methyl n-Butyl Ketone: An industrial solvent which causes nervous system degeneration. MBK is an acronym often used to refer to it.. hexanone : A ketone that is a hexane carrying an oxo substituent at unspecified position.	2	1	0	ketone
2,3-pentanedione pentane-2,3-dione : An alpha-diketone that is pentane substituted at the 2- and 3-positions by oxo groups.	2.02	1	0	alpha-diketone; methyl ketone	flavouring agent
alpha-naphthoflavone alpha-naphthoflavone: inhibits P4501A1 and P4501A2; stimulates some activities of P4503A4. alpha-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the h side of flavone. A synthetic compound, it is an inhibitor of aromatase (EC 1.14.14.14).	3.1	1	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist; aryl hydrocarbon receptor antagonist; EC 1.14.14.14 (aromatase) inhibitor
phenacylamine phenacylamine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #6990	2.31	1	0	aromatic ketone
1-penten-3-ol [no description available]	2.02	1	0	alcohol
2-hexanol hexan-2-ol : A hexanol in which the hydroxy group is at position 2.	1.98	1	0	hexanol; secondary alcohol	human metabolite; plant metabolite; semiochemical
ethyl palmitate ethyl hexadecanoate : A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of ethanol.	1.97	1	0	hexadecanoate ester; long-chain fatty acid ethyl ester	plant metabolite
2-nonanol 2-nonanol: from purple and yellow passion fruits. nonan-2-ol : A secondary alcohol that is nonane substituted by a hydroxy group at position 2.	1.98	1	0	nonanol; secondary alcohol	bacterial metabolite; flavouring agent; pheromone; plant metabolite; rat metabolite; volatile oil component
nonadecane nonadecane : A straight-chain alkane with 19 carbon atoms. It has been found as a component of essential oils isolated from Artemisia armeniaca.	2.06	1	0	long-chain alkane	plant metabolite; volatile oil component
4-propylphenol 4-propylphenol: structure given in first source	3.1	1	0	alkylbenzene
2-nonanone 2-nonanone: RN given refers to cpd with locant for oxo moiety in position 2. nonanone : Any ketone that is nonane substituted by an oxo group at unspecified position.. nonan-2-one : A methyl ketone that is nonane in which the methylene hydrogens at position 2 are replaced by an oxo group.	2.13	1	0	methyl ketone	plant metabolite
hexafluoroisopropanol 1,1,1,3,3,3-hexafluoropropan-2-ol : An organofluorine compound formed by substitution of all the methyl protons in propan-2-ol by fluorine. It is a metabolite of inhalation anesthetic sevoflurane.	3.1	1	0	organofluorine compound; secondary alcohol	drug metabolite
carmine Carmine: Coloring matter from the insect Coccus cacti L. It is used in foods, pharmaceuticals, toiletries, etc., as a dye, and also has use as a microscopic stain and biological marker.	2.15	1	0
monolaurin monolaurin: RN given refers to cpd with unspecified monolaurin locant. 1-monolauroylglycerol : A 1-monoglyceride with dodecanoyl (lauroyl) as the acyl group.. rac-1-monolauroylglycerol : A rac-1-monoacylglycerol comprising equal amounts of 1-lauroyl-sn-glycerol and 3-lauroyl-sn-glycerol	2.05	1	0	1-monoglyceride; dodecanoate ester; rac-1-monoacylglycerol
beta-pinene beta-pinene: alpha-pinene is also available. beta-pinene : An isomer of pinene with an exocyclic double bond. It is a component of essential oils from many plants.	9.42	20	0	pinene	plant metabolite
d-alpha tocopherol Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS.. tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain.. vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen.. (R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils.	4.03	4	0	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
tocopherols [no description available]	2	1	0
ethyl isonicotinate ethyl isonicotinate: structure in first source	2.17	1	0
fenchol fenchol: RN given refers to cpd with unspecified isomeric designation	3.1	1	0
4-n-Butylphenol [no description available]	3.1	1	0	phenols
4-hydroxyazobenzene 4-hydroxyazobenzene: structure in first source	3.1	1	0
4-nitrothiophenolate 4-nitrothiophenolate: RN given refers to parent cpd	3.1	1	0
5 alpha-androstane-3 alpha,17 beta-diol 5alpha-androstane-3alpha,17beta-diol : The 5alpha-stereoisomer of androstane-3alpha,17beta-diol.	3.1	1	0	androstane-3alpha,17beta-diol	Daphnia magna metabolite; human metabolite
dronabinol Dronabinol: A psychoactive compound extracted from the resin of Cannabis sativa (marihuana, hashish). The isomer delta-9-tetrahydrocannabinol (THC) is considered the most active form, producing characteristic mood and perceptual changes associated with this compound.. Delta(9)-tetrahydrocannabinol : A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. The principal psychoactive constituent of the cannabis plant, it is used for treatment of anorexia associated with AIDS as well as nausea and vomiting associated with cancer chemotherapy.	2.72	2	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
perillaldehyde perillaldehyde: from oil of Perillae herba; has neuropharmacological actions; RN given refers to cpd without isomeric designation; structure in Merck Index, 9th ed, #6956. perillyl aldehyde : An aldehyde that is cyclohex-1-ene-1-carbaldehyde substituted by a prop-1-en-2-yl group at position 4.	2.46	2	0	aldehyde; olefinic compound	human metabolite; mouse metabolite; volatile oil component
menthol (+-)-menthol : A racemate comprising equimolar amounts of (+)- and (-)-menthol. Both (+-)- and (-)-menthol are used to relieve symptoms of conditions such as bronchitis and sinusitis. When applied to the skin, menthol dilates the blood vessels, giving a sensation of coldness followed by an analgesic effect that relieves itching. It is therefore used in creams and ointments for the relief of pruritis and urticaria.. (-)-menthol : A p-menthan-3-ol which has (1R,2S,5R)-stereochemistry. It is the most common naturally occurring enantiomer.	3.1	1	0	p-menthan-3-ol	antipruritic drug; antispasmodic drug; antitussive
alpha-terpineol terpineol : A family of monoterpenols that have a p-menthane skeleton containing one double bond and bearing a single hydroxy substituent.	6.15	46	0	terpineol	plant metabolite
hydroxyphenytoin hydroxyphenytoin: main metabolite of diphenylhydantoin; reduces Na(+) inhibition at high Na:K ratios; RN given refers to cpd without isomeric designation; structure. 4-hydroxyphenytoin : A imidazolidine-2,4-dione that consists of hydantoin bearing phenyl and 4-hydroxyphenyl substituents at position 5.	3.1	1	0	imidazolidine-2,4-dione; phenols	metabolite
alpha-thujene alpha-thujene: volatile oil constituent of Monodora myristica (Gaertn) Dunal; structure in first source. alpha-thujene : A thujene that has a bicyclo[3.1.0]hex-2-ene skeleton which is substituted at positions 2 and 5 by methyl and isopropyl groups, respectively.	2.84	3	0	thujene
2-ethylfuran 2-ethylfuran: structure in first source. 2-ethylfuran : A member of the class of furans that is furan in which the hydrogen atom at position 2 has been replaced by an ethyl group.	2.02	1	0	furans; volatile organic compound	bacterial metabolite; fragrance; Maillard reaction product; plant metabolite
fluorescein-5-isothiocyanate Fluorescein-5-isothiocyanate: Fluorescent probe capable of being conjugated to tissue and proteins. It is used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques.. fluorescein 5-isothiocyanate : The 5-isomer of fluorescein isothiocyanate. Acts as a fluorescent probe capable of being conjugated to tissue and proteins; used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques.	1.98	1	0	fluorescein isothiocyanate
sabinene sabinene: RN given refers to cpd without isomeric designation. sabinene : A thujene that is a bicyclic monoterpene isolated from the essential oils of various plant species.	3.47	7	0	thujene	plant metabolite
1-octen-3-ol 1-octen-3-ol: main flavor component of mushrooms; RN given refers to cpd without isomeric designation; bait for insect vectors (tsetse, sandflies, mosquitoes). oct-1-en-3-ol : An alkenyl alcohol with a structure based on a C8 unbranched chain with the hydroxy group at C-2 and unsaturation at C-1-C-2. It is a major volatile compound present in many mushrooms and fungi.	2.07	1	0	alkenyl alcohol; medium-chain fatty alcohol	antimicrobial agent; fungal metabolite; insect attractant; volatile oil component
mannose mannopyranose : The pyranose form of mannose.	2.07	1	0	D-aldohexose; D-mannose; mannopyranose	metabolite
cue-lure [no description available]	2.05	1	0	benzoate ester; phenols
furaneol furaneol: RN given refers to compound with no isomeric designation. 4-hydroxy-2,5-dimethylfuran-3-one : A member of the class of furans that is 2,5-dimethylfuran carrying additional oxo and hydroxy groups at positions 3 and 4 respectively. It has been found particularly in strawberries and other such fruits.	2.52	2	0	cyclic ketone; enol; furans	flavouring agent; fragrance; plant metabolite
2-pentylfuran 2-pentylfuran: structure in first source. 2-pentylfuran : A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a pentyl group. It is found in many heat-processed foods and drinks.	2.06	1	0	furans	Aspergillus metabolite; bacterial metabolite; flavouring agent; human urinary metabolite; insect repellent; plant growth stimulator; volatile oil component
carbonates Carbonates: Salts or ions of the theoretical carbonic acid, containing the radical CO2(3-). Carbonates are readily decomposed by acids. The carbonates of the alkali metals are water-soluble; all others are insoluble. (From Grant & Hackh's Chemical Dictionary, 5th ed). carbonates : Organooxygen compounds that are salts or esters of carbonic acid, H2CO3.	3.11	1	0	carbon oxoanion
2-octanol 2-octanol: RN given refers to cpd without isomeric designation. octan-2-ol : An octanol carrying the hydroxy group at position 2.	1.98	1	0	octanol; secondary alcohol	plant metabolite; volatile oil component
mono-(2-ethylhexyl)phthalate mono-(2-ethylhexyl)phthalate: RN given refers to parent cpd. mono(2-ethylhexyl) phthalate : The mono(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid.	3.1	1	0	phthalic acid monoester
fructosamine Fructosamine: An amino sugar formed when glucose non-enzymatically reacts with the N-terminal amino group of proteins. The fructose moiety is derived from glucose by the classical Amadori rearrangement.	2.08	1	0
sulcatol sulcatol: population aggregation pheromone in scolytid beetle Gnathotricus sulcatus; RN given refers to cpd without isomeric designation; structure	2.07	1	0	secondary alcohol	pheromone
1-naphthalenemethanol 1-naphthalenemethanol: structure given in first source. (1-naphthyl)methanol : A naphthylmethanol that is methanol in which one of the hydrogens of the methyl group is replaced by a naphthalen-1-yl group.	3.1	1	0	naphthylmethanol	mouse metabolite
dexpropranolol [no description available]	3.1	1	0	propranolol
limonene Limonene: A naturally-occurring class of MONOTERPENES which occur as a clear colorless liquid at room temperature. Limonene is the major component in the oil of oranges which has many uses, including as flavor and fragrance. It is recognized as safe in food by the Food and Drug Administration (FDA).. limonene : A monoterpene that is cyclohex-1-ene substituted by a methyl group at position 1 and a prop-1-en-2-yl group at position 4 respectively.	9.43	86	1	cycloalkene; p-menthadiene	human metabolite
n-methylaspartate N-Methylaspartate: An amino acid that, as the D-isomer, is the defining agonist for the NMDA receptor subtype of glutamate receptors (RECEPTORS, NMDA).. N-methyl-D-aspartic acid : An aspartic acid derivative having an N-methyl substituent and D-configuration.	2.45	2	0	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
palladium Palladium: A chemical element having an atomic weight of 106.4, atomic number of 46, and the symbol Pd. It is a white, ductile metal resembling platinum, and following it in abundance and importance of applications. It is used in dentistry in the form of gold, silver, and copper alloys.. palladium : Chemical element (nickel group element atom) with atomic number 46.	2.17	1	0	metal allergen; nickel group element atom; platinum group metal atom
ruthenium Ruthenium: A hard, brittle, grayish-white rare earth metal with an atomic symbol Ru, atomic number 44, and atomic weight 101.07. It is used as a catalyst and hardener for PLATINUM and PALLADIUM.	2.06	1	0	iron group element atom; platinum group metal atom
gold Gold: A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts.	2.9	3	0	copper group element atom; elemental gold
galactosamine 2-amino-2-deoxy-D-galactopyranose : The pyranose form of D-galactosamine.. D-galactosamine : The D-stereoisomer of galactosamine.	7.1	1	0	D-galactosamine; primary amino compound	toxin
phosphine phosphane : The simplest phosphine, consisting of a single phosphorus atom with three hydrogens attached.. phosphine : Phosphane (PH3) and compounds derived from it by substituting one, two or three hydrogen atoms by hydrocarbyl groups: RPH2, R2PH, R3P (R =/= H) are called primary, secondary and tertiary phosphines, respectively. A specific phosphine is preferably named as a substituted phosphane.	2.17	1	0	mononuclear parent hydride; phosphanes; phosphine	carcinogenic agent; fumigant insecticide
deuterium Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus.	3.27	6	0	dihydrogen
nickel sulfate nickel sulfate: RN given refers to cpd with MF of Ni(2+)-H2SO4. nickel sulfate : A metal sulfate having nickel(2+) as the metal ion.	2.17	1	0	metal sulfate	allergen
butylated hydroxyanisole [no description available]	3.1	1	0
hymexazol hymexazol: a chemical used to sterilize soil; structure in first source. hymexazol : A member of the class of isoxazoles carrying hydroxy and methyl substituents at positions 3 and 5 respectively. It is used worldwide as a systemic soil and seed fungicide for the control of diseases caused by Fusarium, Aphanomyces, Pythium, and Corticium spp. in rice, sugarbeet, fodderbeet, vegetables, cucurbits, and ornamentals.	2.17	1	0	heteroaryl hydroxy compound; isoxazoles	antifungal agrochemical
ozone Ozone: The unstable triatomic form of oxygen, O3. It is a powerful oxidant that is produced for various chemical and industrial uses. Its production is also catalyzed in the ATMOSPHERE by ULTRAVIOLET RAY irradiation of oxygen or other ozone precursors such as VOLATILE ORGANIC COMPOUNDS and NITROGEN OXIDES. About 90% of the ozone in the atmosphere exists in the stratosphere (STRATOSPHERIC OZONE).. ozone : An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs.	2.47	2	0	elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen	antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer
3-hydroxybenzo(a)pyrene 3-hydroxybenzo(a)pyrene: RN given refers to unlabeled parent cpd	3.1	1	0	ortho- and peri-fused polycyclic arene
3-carene 3-carene: RN given refers to cpd without isomeric designation	2.95	4	0	monoterpene
menthone menthone : The trans-stereoisomer of p-menthan-3-one.. (-)-menthone : A menthone that is cyclohexanone substituted by a methyl and an isopropyl group at positions 5 and 2 respectively (the 2S,5R-stereoisomer).	3.14	5	0	menthone
tiletamine hydrochloride Cyclohexanones: Cyclohexane ring substituted by one or more ketones in any position.. cyclohexanones : Any alicyclic ketone based on a cyclohexane skeleton and its substituted derivatives thereof.	2.43	2	0
4-n-Pentylphenol [no description available]	3.1	1	0	phenols
thiamphenicol [no description available]	2.15	1	0	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent
9-hydroxybenzo(a)pyrene 9-hydroxybenzo(a)pyrene: RN given refers to unlabeled parent cpd	3.1	1	0	ortho- and peri-fused polycyclic arene
verbenone verbenone: platelet aggregation inhibitor; RN given refers to cpd without isomeric designation. 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one : A carbobicyclic compound that is bicyclo[3.1.1]heptane which is substituted by an oxo group at position 2 and by methyl groups at positions 4, 6 and 6, and which contains a double bond between positions 3 and 4.. (S)-(-)-verbenone : A 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one in which both chiral centres have S configuration.	3.93	4	0	carbobicyclic compound; cyclic ketone; enone
cannabichromene [no description available]	2.41	1	0	1-benzopyran
lavandulyl acetate lavandulyl acetate: structure in first source	2.02	1	0
daunorubicin Daunorubicin: A very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of LEUKEMIA and other NEOPLASMS.. anthracycline : Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine.. daunorubicin : A natural product found in Actinomadura roseola.	3.1	1	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
phenyl acetate phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid.	4.66	26	0	benzenes; phenyl acetates
n-phenylethanolamine [no description available]	3.1	1	0	aralkylamine
phenoxyethanol phenoxyethanol: structure. 2-phenoxyethanol : An aromatic ether that is phenol substituted on oxygen by a 2-hydroxyethyl group.	2.48	2	0	aromatic ether; glycol ether; primary alcohol	antiinfective agent; central nervous system depressant
4-ethylphenol 4-ethylphenol: RN given refers to parent cpd. 4-ethylphenol : A member of the class of phenols carrying an ethyl substituent at position 4.	3.1	1	0	phenols	fungal xenobiotic metabolite
4-anisaldehyde 4-anisaldehyde: RN given refers to cpd with specified locants for methoxy moieties; structure in Merck, 9th ed, #696. p-methoxybenzaldehyde : A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4.	2.05	1	0	benzaldehydes	bacterial metabolite; human urinary metabolite; insect repellent; plant metabolite
myrcene myrcene: structure in first source. beta-myrcene : A monoterpene that is octa-1,6-diene bearing methylene and methyl substituents at positions 3 and 7 respectively.	4.76	28	0	monoterpene	anabolic agent; anti-inflammatory agent; flavouring agent; fragrance; plant metabolite; volatile oil component
isopentyl alcohol isopentyl alcohol: RN given refers to unlabeled parent cpd. isoamylol : An primary alcohol that is butan-1-ol in which a hydrogen at position 3 has been replaced by a methyl group.	2.01	1	0	alkyl alcohol; primary alcohol; volatile organic compound	antifungal agent; Saccharomyces cerevisiae metabolite; xenobiotic metabolite
ethyl hexanoate ethyl hexanoate : A fatty acid ethyl ester obtained by the formal condensation of hexanoic acid with ethanol.	2.72	3	0	fatty acid ethyl ester; hexanoate ester	metabolite
allyl caproate [no description available]	2.46	2	0	fatty acid ester
butyl acetate butyl acetate: structure. butyl acetate : The acetate ester of butanol.	2.15	1	0	acetate ester	metabolite
isoamyl acetate isoamyl acetate: structure in Merck, 9th ed, #4958. isoamyl acetate : The acetate ester of isoamylol.	3.44	7	0	acetate ester	metabolite; Saccharomyces cerevisiae metabolite
nonanal nonanal : A saturated fatty aldehyde formally arising from reduction of the carboxy group of nonanoic acid. Metabolite observed in cancer metabolism.	3.03	4	0	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	human metabolite; plant metabolite
ursodeoxycholic acid Ursodeoxycholic Acid: An epimer of chenodeoxycholic acid. It is a mammalian bile acid found first in the bear and is apparently either a precursor or a product of chenodeoxycholate. Its administration changes the composition of bile and may dissolve gallstones. It is used as a cholagogue and choleretic.. ursodeoxycholic acid : A bile acid found in the bile of bears (Ursidae) as a conjugate with taurine. Used therapeutically, it prevents the synthesis and absorption of cholesterol and can lead to the dissolution of gallstones.. ursodeoxycholate : A bile acid anion that is the conjugate base of ursodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.	3.1	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
pregnanolone Pregnanolone: A pregnane found in the urine of pregnant women and sows. It has anesthetic, hypnotic, and sedative properties.. 3alpha-hydroxy-5beta-pregnan-20-one : The 3alpha-stereoisomer of 3-hydroxy-5beta-pregnan-20-one.	3.1	1	0	3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid	human metabolite; intravenous anaesthetic; sedative
butylated hydroxytoluene 2,6-di-tert-butyl-4-methylphenol : A member of the class of phenols that is 4-methylphenol substituted by tert-butyl groups at positions 2 and 6.	3.1	1	0	phenols	antioxidant; ferroptosis inhibitor; food additive; geroprotector
alkenes [no description available]	4.92	33	0
glutamic acid Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.. glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2.	4.33	7	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
amoxicillin Amoxicillin: A broad-spectrum semisynthetic antibiotic similar to AMPICILLIN except that its resistance to gastric acid permits higher serum levels with oral administration.. amoxicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group.	2.21	1	0	penicillin allergen; penicillin	antibacterial drug
zidovudine Zidovudine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia.. zidovudine : A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase.	3.1	1	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
paclitaxel Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL).	7.5	2	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
6-hydroxybenzo(a)pyrene 6-hydroxybenzo(a)pyrene: RN given refers to parent cpd; structure in first source	3.1	1	0	ortho- and peri-fused polycyclic arene
ng-nitroarginine methyl ester NG-Nitroarginine Methyl Ester: A non-selective inhibitor of nitric oxide synthase. It has been used experimentally to induce hypertension.	2.11	1	0	alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
dexibuprofen dexibuprofen: structure in first source	3.1	1	0	ibuprofen	non-narcotic analgesic; non-steroidal anti-inflammatory drug
benoxaprofen benoxaprofen: RN given refers to parent cpd; structure. benoxaprofen : A monocarboxylic acid that is propionic acid substituted at position 2 by a 2-(4-chlorophenyl)-1,3-benzoxazol-5-yl group. It was used as a non-steroidal anti-inflammatory drug until 1982 when it was withdrawn from the market due to adverse side-effects including liver necrosis, photosensitivity, and carcinogenicity in animals.	3.1	1	0	1,3-benzoxazoles; monocarboxylic acid; monochlorobenzenes	antipsoriatic; antipyretic; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; hepatotoxic agent; nephrotoxin; non-narcotic analgesic; non-steroidal anti-inflammatory drug; protein kinase C agonist
permethrin hemoglobin Atlanta-Coventry: Leu replaced by Pro at beta75 and Leu deleted at beta141	2.5	2	0	cyclopropanecarboxylate ester; cyclopropanes	agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid [no description available]	2.25	1	0	chromanol; monocarboxylic acid; phenols	antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor
2-hydroxybenzo(a)pyrene 2-hydroxybenzo(a)pyrene: RN given refers to parent cpd; structure in first source	3.1	1	0	ortho- and peri-fused polycyclic arene
piperacillin Piperacillin: Semisynthetic, broad-spectrum, AMPICILLIN derived ureidopenicillin antibiotic proposed for PSEUDOMONAS infections. It is also used in combination with other antibiotics.. piperacillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-[(4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido]-2-phenylacetamido group.	2.15	1	0	penicillin allergen; penicillin	antibacterial drug
colforsin Colforsin: Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant COLEUS FORSKOHLII. Has antihypertensive, positive inotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland.	2.07	1	0	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist
lovastatin Lovastatin: A fungal metabolite isolated from cultures of Aspergillus terreus. The compound is a potent anticholesteremic agent. It inhibits 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It also stimulates the production of low-density lipoprotein receptors in the liver.. lovastatin : A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom).	2.06	1	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
simvastatin Simvastatin: A derivative of LOVASTATIN and potent competitive inhibitor of 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It may also interfere with steroid hormone production. Due to the induction of hepatic LDL RECEPTORS, it increases breakdown of LDL CHOLESTEROL.. simvastatin : A member of the class of hexahydronaphthalenes that is lovastatin in which the 2-methylbutyrate ester moiety has been replaced by a 2,2-dimethylbutyrate ester group. It is used as a cholesterol-lowering and anti-cardiovascular disease drug.	7.1	1	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug
itraconazole Itraconazole: A triazole antifungal agent that inhibits cytochrome P-450-dependent enzymes required for ERGOSTEROL synthesis.. itraconazole : An N-arylpiperazine that is cis-ketoconazole in which the imidazol-1-yl group is replaced by a 1,2,4-triazol-1-yl group and in which the actyl group attached to the piperazine moiety is replaced by a p-[(+-)1-sec-butyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl group. A potent P-glycoprotein and CYP3A4 inhibitor, it is used as an antifungal drug for the treatment of various fungal infections, including aspergillosis, blastomycosis, candidiasis, chromoblastomycosis, coccidioidomycosis, cryptococcosis, histoplasmosis, and sporotrichosis.	2.25	1	0	aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles	EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor
imiquimod Imiquimod: A topically-applied aminoquinoline immune modulator that induces interferon production. It is used in the treatment of external genital and perianal warts, superficial CARCINOMA, BASAL CELL; and ACTINIC KERATOSIS.. imiquimod : An imidazoquinoline fused [4,5-c] carrying isobutyl and amino substituents at N-1 and C-4 respectively. A prescription medication, it acts as an immune response modifier and is used to treat genital warts, superficial basal cell carcinoma, and actinic keratosis.	2.25	1	0	imidazoquinoline	antineoplastic agent; interferon inducer
safranal safranal: a monoterpene aldehyde; one of the main components responsible for the aroma of saffron; structure given in first source. safranal : A monoterpenoid formally derived from beta-cyclocitral by dehydrogenation.	2.41	1	0	monoterpenoid
verbenol verbenol: RN given refers to cpd with unspecified isomeric designation; structure	2.47	2	0	monoterpenoid
octyl gallate [no description available]	3.1	1	0	gallate ester	food antioxidant; hypoglycemic agent; plant metabolite
2-methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol 2-methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol: fragrance ingredient; structure in first source	2.07	1	0	p-menthane monoterpenoid
2-butene 2-butene: RN given refers to cpd without isomeric designation	2.41	1	0	but-2-ene
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol [no description available]	3.1	1	0	stilbenoid
glucose, (beta-d)-isomer beta-D-glucose : D-Glucopyranose with beta configuration at the anomeric centre.. (1->4)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->4) linkages.. (1->3)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->3) linkages.	3.75	10	0	D-glucopyranose	epitope; mouse metabolite
2',7'-dichlorofluorescein 2',7'-dichlorofluorescein: RN given refers to parent cpd	3.1	1	0	2-benzofurans	fluorochrome
allicin [no description available]	3.21	1	0	botanical anti-fungal agent; sulfoxide	antibacterial agent
epigallocatechin gallate epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis). (-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin.	3.55	2	0	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
glutathione disulfide Glutathione Disulfide: A GLUTATHIONE dimer formed by a disulfide bond between the cysteine sulfhydryl side chains during the course of being oxidized.	2.41	1	0	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
16-hydroxytestosterone 16-hydroxytestosterone: RN given refers to (16alpha,17beta)-isomer. 16alpha-hydroxytestosterone : A C19-steroid that is testosterone in which the hydrogen at the 16alpha position has been replaced by a hydroxy group.	3.1	1	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid; C19-steroid; diol; secondary alcohol	androgen
2-methoxyestradiol 2-methoxy-17beta-estradiol : A 17beta-hydroxy steroid, being 17beta-estradiol methoxylated at C-2.	3.1	1	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
methylcyclopentadiene methylcyclopentadiene: RN given refers to cpd with unspecified methyl-locant	7.06	1	0
benzeneboronic acid [no description available]	2.17	1	0	boronic acids
5,6,7,8-tetrahydro-1-naphthol 5,6,7,8-tetrahydro-1-naphthol : 1-naphthol hydrogenated at C-5, -6, -7 and -8.	3.1	1	0	tetralins
n-acetyltyrosine N-acetyl-L-tyrosine : An N-acetyltyrosine in which the chiral centre has L configuration.	2.05	1	0	N-acetyltyrosine; N-acyl-L-tyrosine	biomarker; EC 2.1.1.4 (acetylserotonin O-methyltransferase) inhibitor; human urinary metabolite
alfatradiol alfatradiol: used for treating androgenetic alopecia. 17alpha-estradiol : An estradiol that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 17 (the 17alpha stereoisomer).	3.1	1	0	17alpha-hydroxy steroid; 3-hydroxy steroid; estradiol	estrogen; geroprotector
4-hydroxyquinoline 4-quinolone : A quinolone that is 1,4-dihydroquinoline substituted by an oxo group at position 4.	3.1	1	0	monohydroxyquinoline; quinolone
polygodial [no description available]	2.38	2	0	aldehyde
nagilactone c nagilactone C: norditerpene lactone isolated from leaves of Podocarpus; structure	1.98	1	0
citronellal, (r)-isomer (R)-(+)-citronellal : The (3R)-stereoisomer of 3,7-dimethyloct-6-enal (citronellal).	2.47	2	0	citronellal
3,5-dimethoxytoluene 3,5-dimethoxytoluene: a component of rose fragrance; structure in first source. 3,5-dimethoxytoluene : A member of the class of toluenes that is toluene in which the hydrogens at positions 3 and 5 have been replaced by methoxy groups. It is the major scent compound of many rose varieties.	2.08	1	0	methoxybenzenes; toluenes	fragrance; plant metabolite
dodecyltetraethylene glycol monoether [no description available]	2.05	1	0	poly(ethylene glycol)
clotiazepam 2-carene: a monoterpene; structure in first source	2.6	1	0	monoterpenoid
tetramethrin tetramethrin: structure	2.15	1	0	cyclopropanecarboxylate ester; maleimides; phthalimide insecticide	pyrethroid ester insecticide
alpha-bergamotene alpha-bergamotene: RR (13434-59-4) refers to the (trans)-isomer. alpha-bergamotene : A sesquiterpene consisting of a bicyclo[3.1.1]hept-2-ene skeleton substituted at positions 2 and 6 by methyl groups and at position 6 by a 4-methylpent-3-en-1-yl group.	2.98	4	0	bridged compound; polycyclic olefin; sesquiterpene	plant metabolite; volatile oil component
acetyl methyl tetramethyl tetralin acetyl methyl tetramethyl tetralin: musk fragrance; structure given in first source	2.11	1	0	tetralins
nicotine (S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum.	2.53	2	0	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
17-alpha-hydroxypregnenolone 17-alpha-Hydroxypregnenolone: A 21-carbon steroid that is converted from PREGNENOLONE by STEROID 17-ALPHA-HYDROXYLASE. It is an intermediate in the delta-5 pathway of biosynthesis of GONADAL STEROID HORMONES and the adrenal CORTICOSTEROIDS.. 17alpha-hydroxypregnenolone : A hydroxypregnenolone carrying an alpha-hydroxy group at position 17.	3.1	1	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; hydroxypregnenolone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
beta-thujone [no description available]	2.52	2	0	beta-thujone
beta-eudesmol beta-eudesmol: found in Atractylodes and other plants; RN given refers to (2R-(2alpha,4aalpha,8abeta))-isomer. beta-eudesmol : A carbobicyclic compound that is trans-decalin substituted at positions 2, 4a, and 8 by 2-hydroxypropan-2-yl, methyl and methylidene groups, respectively (the 2R,4aR,8aS-diastereoisomer).	2.42	2	0	carbobicyclic compound; eudesmane sesquiterpenoid; tertiary alcohol	volatile oil component
galaxolide galaxolide: musk fragrance; structure given in first source. galaxolide : An organic heterotricyclic compound that is 1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene substituted by methyl groups at positions 4, 6, 6, 7, 8 and 8 respectively. It is a synthetic musk used as a fragrance in cosmetics.	2.11	1	0	isochromenes; organic heterotricyclic compound	fragrance
5-(3-hydroxyphenyl)-5-phenylhydantoin 5-(3-hydroxyphenyl)-5-phenylhydantoin: metabolite of phenytoin; RN given refers to cpd without isomeric designation	3.1	1	0
hydroxyisohexyl 3-cyclohexene carboxaldehyde hydroxyisohexyl 3-cyclohexene carboxaldehyde: structure in first source	2.55	2	0
coronatine coronatine: consists of a coronafacic acid joined by an amide bond to coronamic acid by coronafacate ligase; phytotoxin produced by Pseudomonas syringae; RN given refers to (3aS-(3aalpha,4(1R,2R),6beta,7alpha))-isomer;	2.02	1	0	N-acyl-amino acid
elemol elemol: monocyclic sespuiterpenoid tertiary alcohol; RN given refers to (1R-(1alpha,3alpha,4beta))-isomer; structure in first source. elemol : A sesquiterpenoid that is isopropanol which is substituted at position 2 by a (3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl group.	2.55	2	0	olefinic compound; sesquiterpenoid; tertiary alcohol	fragrance; plant metabolite
spathulenol [no description available]	2.1	1	0	carbotricyclic compound; olefinic compound; sesquiterpenoid; tertiary alcohol	anaesthetic; plant metabolite; vasodilator agent; volatile oil component
7-amino-4-methylcoumarin 7-amino-4-methylcoumarin: RN given refers to parent cpd	3.1	1	0	7-aminocoumarins	fluorochrome
11-hydroxyprogesterone, (11alpha)-isomer 11alpha-hydroxyprogesterone : A 11alpha-hydroxy steroid that is pregn-4-ene-3,20-dione substituted by a hydroxy group at position 11.	3.1	1	0	11alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid
alpha-eudesmol alpha-eudesmol: RN refers to (2alpha,4aalpha,8abeta)-isomer; from Juniperus virginiana; inhibits omega-agatoxin IVA-sensitive Ca2+ currents and synaptosomal Ca2+ uptake; structure in first source. alpha-eudesmol : A eudesmane sesquiterpenoid in which the eudesmane skeleton carries a hydroxy substituent at C-11 and has a double bond between C-3 and C-4.	2.1	1	0	eudesmane sesquiterpenoid; octahydronaphthalenes; tertiary alcohol	volatile oil component
zingiberene zingiberene: in wild tomato; structure in first source. zingiberene : 2-Methylcyclohexa-1,3-diene in which a hydrogen at the 5 position is substituted (R configuration) by a 6-methyl-hept-5-en-2-yl group (S configuration). It is a sesquiterpene found in the dried rhizomes of Indonesian ginger, Zingiber officinale.	2.41	1	0	cyclohexadiene; sesquiterpene
totarol totarol: structure given in first source; isolated from the bark of Podocarpus nagi	1.98	1	0	diterpenoid	metabolite
brexanolone brexanolone: a mixture of allopregnanolone and sulfobutylether‐beta‐cyclodextrin for treatment of postpartum depression. brexanolone : A 3-hydroxy-5alpha-pregnan-20-one in which the hydroxy group at position 3 has alpha-configuration. It is a metabolite of the sex hormone progesterone and used for the treatment of postpartum depression in women.	3.1	1	0	3-hydroxy-5alpha-pregnan-20-one	antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative
3,5-diiodothyronine, (l)-isomer [no description available]	3.1	1	0	phenylalanine derivative
alpha-santalene alpha-santalene: from sandalwood oil; structure in first source	2.13	1	0
harmol hydrochloride [no description available]	3.1	1	0
diosgenin [no description available]	3.1	1	0	3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal	antineoplastic agent; antiviral agent; apoptosis inducer; metabolite
sarsasapogenin, (3beta,5alpha,25r)-isomer tigogenin : A widely used steroidal sapogenin isolated from several plant species and used for synthesizing steroid drugs.	3.1	1	0	sapogenin	gout suppressant; plant metabolite
3,7-dimethyl-1-propargylxanthine 3,7-dimethyl-1-propargylxanthine: potent & selective in vivo antagonist of adenosine analogs	2.03	1	0
3 alpha,17 alpha-dihydroxy-5 beta-pregnan-20-one 3alpha,17alpha-dihydroxy-5beta-pregnan-20-one : A 17alpha-hydroxy steroid that is 3alpha-hydroxy-5beta-pregnan-20-one carrying an additional hydroxy group at position 17alpha.	3.1	1	0	17alpha-hydroxy steroid; 20-oxo steroid; 3alpha-hydroxy steroid; C21-steroid; corticosteroid hormone	human urinary metabolite
2-methoxyestriol [no description available]	3.1	1	0
6,6-dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol 6,6-dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol: fragrance ingredient; structure in first source. pinocarveol : A pinane monoterpenoid that is a bicyclo[3.1.1]heptane substituted by two methyl groups at position 6, a methylidene group at position 2 and a hydroxy group at position 3.	2.55	2	0	carbobicyclic compound; pinane monoterpenoid; secondary alcohol	GABA modulator; mouse metabolite; plant metabolite; volatile oil component
4,8-dimethyl-1,3,7-nonatriene 4,8-dimethyl-1,3,7-nonatriene: structure in first source	3.32	6	0
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine 2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine: directly acting genotoxic metabolite of 2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine. N-hydroxy-PhIP : An imidazopyridine that is 1H--imidazo[4,5-b]pyridine which is substituted at positions 1, 2, and 6 by methyl, hydoxyamino, and phenyl groups, respectively. The active metabolite of the dietary carcinogen PhIP.	3.1	1	0	hydroxylamine; imidazopyridine	carcinogenic agent; genotoxin; human xenobiotic metabolite; mouse metabolite; mutagen; neurotoxin; rat metabolite
epicatechin gallate epicatechin gallate: a steroid 5alpha-reductase inhibitor; RN given refers to the (cis)-isomer; structure given in first source; isolated from green tea. (-)-epicatechin-3-O-gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida.	2.01	1	0	catechin; gallate ester; polyphenol	EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
ecopipam ecopipam: structure given in first source	3.1	1	0	benzazepine
terpinyl acetate terpinyl acetate: ingredient in perfume of spray starch causing contact urticaria	2.77	3	0	p-menthane monoterpenoid
valerates Valerates: Derivatives of valeric acid, including its salts and esters.	2.04	1	0	short-chain fatty acid anion; straight-chain saturated fatty acid anion	plant metabolite
florfenicol florfenicol: structure given in first source. florfenicol : A carboxamide that is the N-dichloroacetyl derivative of (1R,2S)-2-amino-3-fluoro-1-[4-(methanesulfonyl)phenyl]propan-1-ol. A synthetic veterinary antibiotic that is used for treatment of bovine respiratory disease and foot rot; also used in aquaculture.	2.15	1	0	organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone	antimicrobial agent
ibuprofen, (r)-isomer [no description available]	3.1	1	0	ibuprofen
11-hydroxytestosterone 11-hydroxytestosterone: RN given refers to (11 beta,17 beta)-isomer. 11beta-hydroxytestosterone : An androstanoid that is testosterone carrying an additional hydroxy substituent at the 11beta-position.	3.1	1	0	11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid; C19-steroid	bacterial xenobiotic metabolite; human xenobiotic metabolite; marine metabolite
norbuprenorphine norbuprenorphine: metabolite of buprenorphine found in urine & feces; RN given refers to (5alpha,7alpha)-isomer; structure given in first source	3.1	1	0	phenanthrenes
benzo(a)pyrene-3,6-quinol [no description available]	3.1	1	0
caprylates Caprylates: Derivatives of caprylic acid. Included under this heading are a broad variety of acid forms, salts, esters, and amides that contain a carboxy terminated eight carbon aliphatic structure.. octanoate : A straight-chain saturated fatty acid anion that is the conjugate base of octanoic acid (caprylic acid); believed to block adipogenesis.	2.05	1	0	fatty acid anion 8:0; straight-chain saturated fatty acid anion	human metabolite; Saccharomyces cerevisiae metabolite
1,1,6-trimethyl-1,2-dihydronaphthalene 1,1,6-trimethyl-1,2-dihydronaphthalene: structure in first source	2.07	1	0	naphthalenes
tiglic acid tiglic acid : A 2-methylbut-2-enoic acid having its double bond in trans-configuration.. 2-methylbut-2-enoic acid : A branched-chain fatty acid consisting of 2-butenoic acid having a methyl group at position 2.	2.25	1	0	2-methylbut-2-enoic acid	plant metabolite
methotrexate [no description available]	2.17	1	0	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
xylose xylopyranose: structure in first source	2.01	1	0	D-xylose
phytol [no description available]	2.66	2	0
proline Proline: A non-essential amino acid that is synthesized from GLUTAMIC ACID. It is an essential component of COLLAGEN and is important for proper functioning of joints and tendons.. proline : An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2.	2.1	1	0	amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid	algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
3-hydroxyhexanoic acid 3-hydroxyhexanoic acid: abnormal metabolite in urine & serum of diabetic ketoacidotic patients	2.13	1	0	3-hydroxy monocarboxylic acid
farnesylacetic acid farnesylacetic acid: RN given refers to cpd without isomeric designation	2.11	1	0
naproxen Naproxen: An anti-inflammatory agent with analgesic and antipyretic properties. Both the acid and its sodium salt are used in the treatment of rheumatoid arthritis and other rheumatic or musculoskeletal disorders, dysmenorrhea, and acute gout.. naproxen : A methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction of pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, kidney stones, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, menstrual cramps, tendinitis, bursitis, and for the treatment of primary dysmenorrhea. It works by inhibiting both the COX-1 and COX-2 enzymes.	8.54	2	0	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
hydroxyl radical Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent.	2.81	3	0	oxygen hydride; oxygen radical; reactive oxygen species
camphora camphora: a component of Guanxingao, a kind of traditional Chinese rubber electuary medicine which is able to either cure or guard against coronary heart disease and angina pectoris. (R)-camphor : The (R)- enantiomer of camphor.	2.42	2	0	camphor
cortolone [no description available]	3.1	1	0	21-hydroxy steroid
oxypeucadanin oxypeucadanin: furanocoumarin from W. Afr. medicinal plant Clausena anisata; RN given refers to cpd without isomeric designation. oxypeucedanin : A furanocoumarin that is 7H-furo[3,2-g][1]benzopyran-7-one substituted by a [(2S)-3,3-dimethyloxiran-2-yl]methoxy group at position 4.	2.11	1	0	psoralens
t-cadinol T-cadinol: extract of scented myrrh; RN given refers to (1S-(1alpha,4alpha,4aalpha,8abeta)-isomer; RN for cpd without isomeric designation not avail 3/92; structure given in first source. tau-cadinol : A cadinane sesquiterpenoid that is cadin-4-ene carrying a hydroxy substituent at position 10.	2.1	1	0	cadinane sesquiterpenoid; carbobicyclic compound; octahydronaphthalenes; tertiary alcohol	plant metabolite; volatile oil component
anacardic acid anacardic acid: isolated from Anacardium occidentale; monophenol monooxygenase inhibitor. anacardic acid : A hydroxybenzoic acid that is salicylic acid substituted by a pentadecyl group at position 6. It is a major component of cashew nut shell liquid and exhibits an extensive range of bioactivities.	1.98	1	0	hydroxy monocarboxylic acid; hydroxybenzoic acid	anti-inflammatory agent; antibacterial agent; anticoronaviral agent; apoptosis inducer; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; neuroprotective agent; plant metabolite
cyclonerodiol cyclonerodiol: structure	2.51	2	0
isopulegol isopulegol: isolated from Mentha cardiaca structure in first source	2.75	3	0	p-menthane monoterpenoid	metabolite
angiotensin ii Giapreza: injectable form of angiotensin II used to increase blood pressure in adult patients with septic or other distributive shock. Ile(5)-angiotensin II : An angiotensin II that acts on the central nervous system (PDB entry: 1N9V).	2.31	1	0	amino acid zwitterion; angiotensin II	human metabolite
limonin [no description available]	2.05	1	0	epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound	inhibitor; metabolite; volatile oil component
brevicomin brevicomin: RN given refers to (1R-exo)-isomer; structure	2.04	1	0
aflatoxin b1 Aflatoxin B1: A potent hepatotoxic and hepatocarcinogenic mycotoxin produced by the Aspergillus flavus group of fungi. It is also mutagenic, teratogenic, and causes immunosuppression in animals. It is found as a contaminant in peanuts, cottonseed meal, corn, and other grains. The mycotoxin requires epoxidation to aflatoxin B1 2,3-oxide for activation. Microsomal monooxygenases biotransform the toxin to the less toxic metabolites aflatoxin M1 and Q1.. aflatoxin B1 : An aflatoxin having a tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11.	2.54	2	0	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human metabolite
4,8,12-trimethyl-1,3,7,11-tridecatetraene 4,8,12-trimethyl-1,3,7,11-tridecatetraene: released by lima bean plants upon predation by T. urticae	2.03	1	0
carbocysteine Carbocysteine: A compound formed when iodoacetic acid reacts with sulfhydryl groups in proteins. It has been used as an anti-infective nasal spray with mucolytic and expectorant action.. S-carboxymethyl-L-cysteine : An L-cysteine thioether that is L-cysteine in which the hydrogen of the thiol group has been replaced by a carboxymethyl group.	3.1	1	0	L-cysteine thioether; non-proteinogenic L-alpha-amino acid	mucolytic
cholic acid Cholic Acid: A major primary bile acid produced in the liver and usually conjugated with glycine or taurine. It facilitates fat absorption and cholesterol excretion.. cholic acid : A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12.	3.1	1	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
sitosterol, (3beta)-isomer Sobatum: tradename; active fraction of Solanum trilobatum; reduces side-effects of radiation-induced toxicity. sitosterol : A member of the class of phytosterols that is stigmast-5-ene substituted by a beta-hydroxy group at position 3.	1.98	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol	anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor
erythritol [no description available]	2.1	1	0	butane-1,2,3,4-tetrol	antioxidant; human metabolite; plant metabolite
lilial [no description available]	2.11	1	0
5 alpha-androstane-3 beta,17 beta-diol 5alpha-androstane-3beta,17beta-diol : An androstane-3,17-diol that is 5alpha-androstane substituted by beta-hydroxy groups at positions 3 and 17. It is a metabolite of dihydrotestosterone.	3.1	1	0	17beta-hydroxy steroid; 3beta-hydroxy steroid; androstane-3,17-diol	Daphnia magna metabolite; human metabolite
3-octanone 3-octanone : A dialkyl ketone that is octane in which the two methylene protons at position 3 have been replaced by an oxo group.	2.02	1	0	dialkyl ketone	antifeedant; biomarker; fungal metabolite; human urinary metabolite; insect attractant; plant metabolite; toxin
cortol [no description available]	3.1	1	0	21-hydroxy steroid
21-hydroxypregnenolone 21-hydroxypregnenolone: RN given refers to (3beta)-isomer;. 21-hydroxypregnenolone : A hydroxypregnenolone that is pregnenolone which has been substituted by a hydroxy group at position 21.	3.1	1	0	21-hydroxy steroid; hydroxypregnenolone; primary alpha-hydroxy ketone	mouse metabolite
2-hydroxyestradiol 2-hydroxyestradiol: catechol estrogen; RN given refers to (17 beta)-isomer. 2-hydroxy-17beta-estradiol : A 2-hydroxy steroid that consists of 17beta-estradiol having an additional hydroxy group at position 2.	3.1	1	0	17beta-hydroxy steroid; 2-hydroxy steroid	carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug
epietiocholanolone epietiocholanolone : A 3beta-hydroxy steroid that is 5beta-androstane substituted by a hydroxy group at position 3beta and an oxo group at position 17. It is a metabolite of testosterone.	3.1	1	0	17-oxo steroid; 3beta-hydroxy steroid; androstanoid	androgen; animal metabolite; human blood serum metabolite; mouse metabolite; rat metabolite
perillyl alcohol (S)-(-)-perillyl alcohol : A perillyl alcohol in which the chiral centre has S configuration.	2.03	1	0	perillyl alcohol
piperitenone piperitenone: structure given in first source	2.17	1	0	p-menthadien-3-one
povidone-iodine Povidone-Iodine: An iodinated polyvinyl polymer used as topical antiseptic in surgery and for skin and mucous membrane infections, also as aerosol. The iodine may be radiolabeled for research purposes.	2.05	1	0
permanganate [no description available]	7.1	1	0	manganese oxoacid
glyceraldehyde 3-phosphate Glyceraldehyde 3-Phosphate: An aldotriose which is an important intermediate in glycolysis and in tryptophan biosynthesis.. glyceraldehyde 3-phosphate : An aldotriose phosphate that is the 3-phospho derivative of glyceraldehyde. It is an important metabolic intermediate in several central metabolic pathways in all organisms.	2.03	1	0	glyceraldehyde 3-phosphate	mouse metabolite
arabinose [no description available]	1.99	1	0	L-arabinose	Escherichia coli metabolite; mouse metabolite
amylopectin Amylopectin: A highly branched glucan in starch.. amylopectin : A polydisperse highly branched polysaccharide derivative composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage. The chains are joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some 6-phosphate ester groups also may occur. The branches in amylopectin typically contain 24 to 30 glucose residues.	2.01	1	0
mevalonic acid Mevalonic Acid: A dihydroxy monocarboxylic acid and precursor in the biosynthetic pathway known as the mevalonate pathway, which produces terpenes and steroids that are vital for diverse cellular functions.. mevalonic acid : A racemate composed of equimolar amounts of (R)- and (S)-mevalonic acid.. (R)-mevalonic acid : The (R)-enantiomer of mevalonic acid.	3.32	6	0	3,5-dihydroxy-3-methylpentanoic acid
naringenin (S)-naringenin : The (S)-enantiomer of naringenin.	3.1	1	0	(2S)-flavan-4-one; naringenin	expectorant; plant metabolite
oxytocin Oxytocin: A nonapeptide hormone released from the neurohypophysis (PITUITARY GLAND, POSTERIOR). It differs from VASOPRESSIN by two amino acids at residues 3 and 8. Oxytocin acts on SMOOTH MUSCLE CELLS, such as causing UTERINE CONTRACTIONS and MILK EJECTION.. oxytocin : A cyclic nonapeptide hormone with amino acid sequence CYIQNCPLG that also acts as a neurotransmitter in the brain; the principal uterine-contracting and milk-ejecting hormone of the posterior pituitary. Together with the neuropeptide vasopressin, it is believed to influence social cognition and behaviour.	2.15	1	0	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
tartaric acid tartaric acid: RN given refers to cpd with unspecified isomeric designation. D-tartaric acid : The D-enantiomer of tartaric acid.	2.1	1	0	tartaric acid	Escherichia coli metabolite
2-hydroxyestrone 2-hydroxyestrone: catechol estrogen which is a major metabolite of estradiol in man & animals; RN given refers to parent cpd. 2-hydroxyestrone : A 2-hydroxy steroid that is estrone substituted by a hydroxy group at position 2.	3.1	1	0	2-hydroxy steroid; catechols	human metabolite
(+)-limonene (4R)-limonene : An optically active form of limonene having (4R)-configuration.	3.52	8	0	limonene	plant metabolite
(+)-delta-cadinene delta-cadinene: has antineoplastic activity; structure in first source. delta-cadinene : A member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon (position 8a).. (+)-delta-cadinene : A member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon (the 1S,8aR-enantiomer).	2.95	4	0	cadinene; delta-cadinene
hyperforin hyperforin: a prenylated acylphloroglucinol derivative; antibiotic component of novoimanine; psychoactive agent in St. John's wort; Russian; structure;. hyperforin : A cyclic terpene ketone that is a prenylated carbobicyclic acylphloroglucinol derivative produced by St. John's Wort, Hypericum perforatum.	2.6	1	0
epiandrosterone epiandrosterone : A 3beta-hydroxy steroid that is (5alpha)-androstane substituted by a beta-hydroxy group at position 3 and an oxo group at position 17.	3.1	1	0	17-oxo steroid; 3beta-hydroxy steroid; androstanoid	androgen; human metabolite
alpha-copaene alpha-copaene: from Olea europaea; structure in first source. alpha-copaene : A sesquiterpene that is tricyclo[4.4.0.0(2,7)]dec-3-ene bearing an isopropyl substituent at position 8 and two methyl substituents at positions 1 and 3 (the 1S,6S,7S,8S-diastereomer).	2.17	1	0
naringin [no description available]	3.1	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite
valtrate valtrate: Baldrisedon contains 100mg extract of Radix Valerianae mexicanae which contains 50mg valepotriate	2.6	1	0	fatty acid ester
pulegone pulegone: component of peppermint oil; RN given refers to cpd without isomeric designation; structure in Merck. (+)-pulegone : The (5R)-enantiomer of p-menth-4(8)-en-3-one.	3.47	7	0	p-menth-4(8)-en-3-one
1-alpha-terpineol (S)-(-)-alpha-terpineol : The (S)-enantiomer of alpha-terpineol.	4.5	7	0	alpha-terpineol	plant metabolite
2-c-methylerythritol 4-phosphate 2-C-methylerythritol 4-phosphate: structure in first source	2.1	1	0	tetritol phosphate	Escherichia coli metabolite
diprenorphine Diprenorphine: A narcotic antagonist similar in action to NALOXONE. It is used to remobilize animals after ETORPHINE neuroleptanalgesia and is considered a specific antagonist to etorphine.	3.1	1	0	morphinane alkaloid
betadex beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds.	4.01	12	0	cyclodextrin
e-z cinnamic acid cinnamic acid : A monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia.. trans-cinnamic acid : The E (trans) isomer of cinnamic acid	2.52	2	0	cinnamic acid	plant metabolite
ergosterol [no description available]	3.1	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	fungal metabolite; Saccharomyces cerevisiae metabolite
tretinoin Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE).. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).. all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry.	3.1	1	0	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
farnesol Farnesol: A colorless liquid extracted from oils of plants such as citronella, neroli, cyclamen, and tuberose. It is an intermediate step in the biological synthesis of cholesterol from mevalonic acid in vertebrates. It has a delicate odor and is used in perfumery. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). (2-trans,6-trans)-farnesol : The (2-trans,6-trans)-stereoisomer of farnesol.. farnesol : A farnesane sesquiterpenoid that is dodeca-2,6,10-triene substituted by methyl groups at positions 3, 7 and 11 and a hydroxy group at position 1.	3.31	6	0	farnesol	plant metabolite
retinol Vitamin A: Retinol and derivatives of retinol that play an essential role in metabolic functioning of the retina, the growth of and differentiation of epithelial tissue, the growth of bone, reproduction, and the immune response. Dietary vitamin A is derived from a variety of CAROTENOIDS found in plants. It is enriched in the liver, egg yolks, and the fat component of dairy products.. vitamin A : Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication.. all-trans-retinol : A retinol in which all four exocyclic double bonds have E- (trans-) geometry.. retinol : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).	3.1	1	0	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
farnesyl pyrophosphate farnesyl pyrophosphate: a sesquiterpene that dimerizes to SQUALENE; RN given refers to cpd without isomeric designation. 2-trans,6-trans-farnesyl diphosphate : The trans,trans-stereoisomer of farnesyl diphosphate.	2.96	4	0	farnesyl diphosphate	Escherichia coli metabolite; mouse metabolite
ferulic acid ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid.	3.1	1	0	ferulic acids	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite
geranyl pyrophosphate geranyl pyrophosphate: RN given refers to (E)-isomer. geranyl diphosphate : The diphosphate of the polyprenol compound geraniol.	2.98	4	0	polyprenyl diphosphate	Escherichia coli metabolite; mouse metabolite
mycophenolic acid Mycophenolic Acid: Compound derived from Penicillium stoloniferum and related species. It blocks de novo biosynthesis of purine nucleotides by inhibition of the enzyme inosine monophosphate dehydrogenase (IMP DEHYDROGENASE). Mycophenolic acid exerts selective effects on the immune system in which it prevents the proliferation of T-CELLS, LYMPHOCYTES, and the formation of antibodies from B-CELLS. It may also inhibit recruitment of LEUKOCYTES to sites of INFLAMMATION.. mycophenolate : A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid.. mycophenolic acid : A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases.	3.1	1	0	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic
lycopene [no description available]	2.45	2	0	acyclic carotene	antioxidant; plant metabolite
fosfomycin Fosfomycin: An antibiotic produced by Streptomyces fradiae.. fosfomycin : A phosphonic acid having an (R,S)-1,2-epoxypropyl group attached to phosphorus.	2.06	1	0	epoxide; phosphonic acids	antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
diethylstilbestrol Diethylstilbestrol: A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed). diethylstilbestrol : An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups.	3.1	1	0	olefinic compound; polyphenol	antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen
iridoids Iridoids: A type of MONOTERPENES, derived from geraniol. They have the general form of cyclopentanopyran, but in some cases, one of the rings is broken as in the case of secoiridoid. They are different from the similarly named iridals (TRITERPENES).	2.07	1	0
spathulenol spathulenol: sesquiterpene alcohol isolated from essential oils of Artemisia vulgaris L. & Artemisia dracunculus L.. spathulenol : A tricyclic sesquiterpenoid that is 4-methylidenedecahydro-1H-cyclopropa[e]azulene carrying three methyl substituents at positions 1, 1 and 7 as well as a hydroxy substituent at position 7.	2.89	3	0
isobornyl acrylate isobornyl acrylate: causes contact dermatitis in some individuals; structure in first source	3.41	1	0
chavibetol chavibetol: isolated from essential oil of Pimenta pseudocaryophyllus leaf; structure in first source	2.1	1	0	methoxybenzenes; phenols
alpha-asarone asarone: structure in Merck Index, 9th ed, #847. asarone : A phenylpropanoid that is benzene substituted by methoxy groups at positions 1, 2 and 4 and a propen-1-yl group at position 5. It has been isolated from Acorus.. alpha-asarone : The trans-isomer of asarone.	1.98	1	0	asarone	anticonvulsant; GABA modulator
cinnamaldehyde 3-phenylprop-2-enal : A member of the class of cinnamaldehydes that is prop-2-enal in which a hydrogen at position 3 has been replaced by a phenyl group. The configuration of the double bond is not specified; the name "cinnamaldehyde" is widely used to refer to the E (trans) isomer.. (E)-cinnamaldehyde : The E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes.	9.69	8	0	3-phenylprop-2-enal; cinnamaldehydes	antifungal agent; EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor; flavouring agent; hypoglycemic agent; plant metabolite; sensitiser; vasodilator agent
methyl cinnamate methyl cinnamate: RN given refers to cpd without isomeric designation. methyl cinnamate : A methyl ester resulting from the formal condensation of methyl cinnamic acid with methanol. It is found naturally in the essential oils of Alpinia and Basil leaf oil, and widely used in the flavor and perfume industries.. methyl trans-cinnamate : The E (trans) isomer of methyl cinnamate.	2.77	3	0	methyl cinnamate	antibacterial agent; fungal metabolite; nematicide; plant metabolite
trans-4-coumaric acid hydroxycinnamic acid : Any member of the class of cinnamic acids carrying one or more hydroxy substituents.. trans-4-coumaric acid : The trans-isomer of 4-coumaric acid.. 4-coumaric acid : A coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring.	2.1	1	0	4-coumaric acid	food component; mouse metabolite; plant metabolite
anethole anethole: an isomer of estragole; structurally similar to CAPSAICIN; has some neurological and insecticidal and skin absorption effects; RN given refers to unspecified stereoisomer. anethole : A monomethoxybenzene that is methoxybenzene substituted by a prop-1-en-1-yl group at position 4.. trans-anethole : The trans-stereoisomer of anethole.	3.65	9	0	anethole	flavouring agent
2,4-hexadienal 2,4-hexadienal: RN given refers to compound with no isomeric designation. hexadienal : An enal that is hexadiene carrying an oxo group at position 1.. (E,E)-2,4-hexadienal : A hexadienal that is hexanal with trans double bonds at positions 2 and 4. It is found in tomatoes, kiwi fruit, mangoes, potato chips, herbs and spices.	2.02	1	0	hexadienal; polyunsaturated fatty aldehyde; volatile organic compound	flavouring agent; plant metabolite
geraniol [no description available]	8.35	88	1	3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol	allergen; fragrance; plant metabolite; volatile oil component
glycosides [no description available]	2.02	1	0
isomethyleugenol Methylation: Addition of methyl groups. In histo-chemistry methylation is used to esterify carboxyl groups and remove sulfate groups by treating tissue sections with hot methanol in the presence of hydrochloric acid. (From Stedman, 25th ed)	2.05	1	0	isomethyleugenol
isosafrole isosafrole: RN given refers to cpd without isomeric designation	1.98	1	0	benzodioxoles
citral citral: Xref geranial: geraniol is also available; Xref neral: nerol is also available; vitamin A antagonist; oxygenated monoterpene; inhibits cytosolic dehydrogenases; structure. citral : An enal that consists of octa-2,6-dienal bearing methyl substituents at positions 3 and 7. A mixture of the two geometric isomers geranial and neral, it is the major constituent (75-85%) of oil of lemon grass, the volatile oil of Cymbopogon citratus, or of C. flexuosus. It also occurs in oils of verbena, lemon, and orange.	4.88	33	0	enal; monoterpenoid; polyprenal	plant metabolite; volatile oil component
beta-ionone beta-ionone: stimulator of carotenogenesis; carotenoid inhibitor; intermediate in synthesis of Vit A; RN given refers to cpd without isomeric designation; structure. beta-ionone : An ionone that is but-3-en-2-one substituted by a 2,6,6-trimethylcyclohex-1-en-1-yl group at position 4.	3.01	4	0	ionone	antioxidant; fragrance
nerol nerol : The (2Z)-stereoisomer of 3,7-dimethylocta-2,6-dien-1-ol. It has been isolated from the essential oils from plants like lemon grass.	2.42	2	0	3,7-dimethylocta-2,6-dien-1-ol	fragrance; plant metabolite; volatile oil component
cannabidiol Cannabidiol: Compound isolated from Cannabis sativa extract.. cannabidiol : An cannabinoid that is cyclohexene which is substituted by a methyl group at position 1, a 2,6-dihydroxy-4-pentylphenyl group at position 3, and a prop-1-en-2-yl group at position 4.	2.72	2	0	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite
pyrophosphate Diphosphates: Inorganic salts of phosphoric acid that contain two phosphate groups.	3.08	4	0	diphosphate ion
palmitoyl coenzyme a Palmitoyl Coenzyme A: A fatty acid coenzyme derivative which plays a key role in fatty acid oxidation and biosynthesis.. palmitoyl-CoA : A long-chain fatty acyl-CoA resulting from the formal condensation of the carboxy group of hexadecanoic acid with the thiol group of coenzyme A.	1.97	1	0	11,12-saturated fatty acyl-CoA; 3-substituted propionyl-CoA; long-chain fatty acyl-CoA; palmitoyl bioconjugate	Escherichia coli metabolite; mouse metabolite
methylatropine methylatropine: RN given refers to endo-(+-)-isomer; structure in Negwer, 5th ed, #3766	2.1	1	0
transfluthrin transfluthrin: an insecticide. transfluthrin : A carboxylic ester obtained by formal condensation of 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid and 2,3,5,6-tetrafluorobenzyl alcohol.	7.54	2	0	carboxylic ester; cyclopropanes; organochlorine compound; organofluorine compound	pyrethroid ester insecticide
sesquiterpenes [no description available]	5.88	88	0
dienestrol Dienestrol: A synthetic, non-steroidal estrogen structurally related to stilbestrol. It is used, usually as the cream, in the treatment of menopausal and postmenopausal symptoms.. dienestrol : An olefinic compound that is hexa-2,4-diene substituted by 4-hydroxyphenyl groups at positions 3 and 4 respectively.	3.1	1	0
caffeic acid trans-caffeic acid : The trans-isomer of caffeic acid.	2.03	1	0	caffeic acid	geroprotector; mouse metabolite
captax captax: RN given refers to parent cpd. 1,3-benzothiazole-2-thiol : 1,3-Benzothiazole substituted at the 2-position with a sulfanyl group.	3.1	1	0	aryl thiol; benzothiazoles	carcinogenic agent; metabolite
isoeugenol trans-isoeugenol : The trans-stereoisomer of isoeugenol.	2.1	1	0	isoeugenol	plant metabolite
thiothixene [no description available]	3.1	1	0	N-methylpiperazine	anticoronaviral agent
hc 030031 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-isopropylphenyl)acetamide: a TRPA1 channel blocker	2.1	1	0
capsaicin ALGRX-4975: an injectable capsaicin (TRPV1 receptor agonist) formulation for longlasting pain relief. capsaicinoid : A family of aromatic fatty amides produced as secondary metabolites by chilli peppers.	4.49	2	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
Jasmone jasmone: RN refers to (Z)-isomer; structure given in first source	2.72	3	0	cyclic ketone
geranyl acetate geranyl acetate: constituted about 90% of the palmarosa oil. geranyl acetate : A monoterpenoid that is the acetate ester derivative of geraniol.	3.44	7	0	acetate ester; monoterpenoid	plant metabolite
caryophyllene oxide caryophyllene oxide: has butyrylcholinesterase inhibitory activity; structure in first source. epoxide : Any cyclic ether in which the oxygen atom forms part of a 3-membered ring.	3.93	11	0	epoxide	metabolite
8,10-dodecadien-1-ol 8,10-dodecadien-1-ol: isomer of coddling moth sex attractant; RN given refers to (E,E)-isomer, which is codlemone	2.02	1	0
chlorogenic acid caffeoylquinic acid: Antiviral Agent; structure in first source. chlorogenate : A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3.	3.1	1	0	cinnamate ester; tannin	food component; plant metabolite
longifolene longifolene: from plant products; RN given refers to (1S-(1alpha,3abeta,4alpha,8abeta))-isomer; structure given in first source	1.98	1	0	longifolene
capsazepine capsazepine: modified capsaicin molecule; a capsaicin receptor antagonist. capsazepine : A benzazepine that is 2,3,4,5-tetrahydro-1H-2-benzazepine which is substituted by hydroxy groups at positions 7 and 8 and on the nitrogen atom by a 2-(p-chlorophenyl)ethylaminothiocarbonyl group. A synthetic analogue of capsaicin, it was the first reported capsaicin receptor antagonist.	2.1	1	0	benzazepine; catechols; monochlorobenzenes; thioureas	capsaicin receptor antagonist
1,1-diphenyl-2-picrylhydrazyl 1,1-diphenyl-2-picrylhydrazyl: A diphenyl picrate; the ability to decolorize this stable radical indicates reactivity of tested compounds (Banda, Anal Chem 46:1772-7 1974)	3.79	10	0
sch 23390 SCH 23390: a selective D1-receptor antagonist. SCH 23390 : A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1, a methyl substituent at position 3, a chloro substituent at position 7 and a hydroxy substituent at position 8.	3.54	2	0	benzazepine
2,3,4-tri-o-acetylarabinopyranosyl isothiocyanate 2,3,4-tri-O-acetylarabinopyranosyl isothiocyanate: RN given refers to (alpha-D)-isomer	2.13	1	0
t-muurolol T-muurolol: antifungal from Calocedrus formosana leaf; structure in first source. (-)-Tau-muurolol : A cadinane sesquiterpenoid that consists of 4-isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene having a hydroxy substituent at position 1 and (1S,4S,4aR,8aS)-configuration.	2.07	1	0	cadinane sesquiterpenoid; carbobicyclic compound; octahydronaphthalenes; tertiary alcohol	bacterial metabolite; fungicide; marine metabolite; plant metabolite; volatile oil component
ovalbumin Ovalbumin: An albumin obtained from the white of eggs. It is a member of the serpin superfamily.	7.21	1	0
sodium dodecyl sulfate Sodium Dodecyl Sulfate: An anionic surfactant, usually a mixture of sodium alkyl sulfates, mainly the lauryl; lowers surface tension of aqueous solutions; used as fat emulsifier, wetting agent, detergent in cosmetics, pharmaceuticals and toothpastes; also as research tool in protein biochemistry.. sodium dodecyl sulfate : An organic sodium salt that is the sodium salt of dodecyl hydrogen sulfate.	2.08	1	0	organic sodium salt	detergent; protein denaturant
digitoxigenin Digitoxigenin: 3 beta,14-Dihydroxy-5 beta-card-20(22)enolide. A cardenolide which is the aglycon of digitoxin. Synonyms: Cerberigenin; Echujetin; Evonogenin; Thevetigenin.. digitoxigenin : A 5beta-cardenolide that is 5beta-cardanolide with hydroxy substituents at the 3beta- and 14beta-positions and double bond unsaturation at C(20)-C(22).	3.1	1	0	14beta-hydroxy steroid; 3beta-hydroxy steroid
farnesoic acid farnesoic acid : A methyl-branched, trienoic fatty acid consisting of dodeca-2,6,10-trienoic acid having three methyl substituents at the 3-, 7- and 11-positions.. (2E,6E)-farnesoic acid : A farnesoic acid in which the double bonds at positions 2 and 6 both have E-configuration.	2.1	1	0	farnesoic acid	animal metabolite
quercetin [no description available]	3.1	1	0	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger
bilirubin [no description available]	3.1	1	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
dinoprostone prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins.	2.73	3	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprost Dinoprost: A naturally occurring prostaglandin that has oxytocic, luteolytic, and abortifacient activities. Due to its vasocontractile properties, the compound has a variety of other biological actions.. prostaglandin F2alpha : A prostaglandins Falpha that is prosta-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15. It is a naturally occurring prostaglandin used to induce labor.	2.11	1	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
12-oxophytodienoic acid 12-oxophytodienoic acid: structure given in first source; a jasmonate precursor that induces phytoalexin synthesis	2.31	1	0	carbocyclic fatty acid; olefinic fatty acid; oxo carboxylic acid
apigenin Chamomile: Common name for several daisy-like plants (MATRICARIA; TRIPLEUROSPERMUM; ANTHEMIS; CHAMAEMELUM) native to Europe and Western Asia, now naturalized in the United States and Australia.	3.51	2	0	trihydroxyflavone	antineoplastic agent; metabolite
luteolin [no description available]	2.49	2	0	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
linoleic acid Linoleic Acid: A doubly unsaturated fatty acid, occurring widely in plant glycosides. It is an essential fatty acid in mammalian nutrition and is used in the biosynthesis of prostaglandins and cell membranes. (From Stedman, 26th ed). linoleic acid : An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry.	2.1	1	0	octadecadienoic acid; omega-6 fatty acid	algal metabolite; Daphnia galeata metabolite; plant metabolite
scopoletin [no description available]	3.1	1	0	hydroxycoumarin	plant growth regulator; plant metabolite
beta carotene beta Carotene: A carotenoid that is a precursor of VITAMIN A. Beta carotene is administered to reduce the severity of photosensitivity reactions in patients with erythropoietic protoporphyria (PORPHYRIA, ERYTHROPOIETIC).. provitamin A : A provitamin that can be converted into vitamin A by enzymes from animal tissues.	2.44	2	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
hymecromone Hymecromone: A coumarin derivative possessing properties as a spasmolytic, choleretic and light-protective agent. It is also used in ANALYTICAL CHEMISTRY TECHNIQUES for the determination of NITRIC ACID.	3.1	1	0	hydroxycoumarin	antineoplastic agent; hyaluronic acid synthesis inhibitor
farnesal [no description available]	7.59	2	0	farnesal; polyprenal
luteolin-7-glucoside luteolin-7-glucoside: has both antiasthmatic and antineoplastic activities; has 3C protease inhibitory activity; isolated from Ligustrum lucidum. luteolin 7-O-beta-D-glucoside : A glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.	2.21	1	0	beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antioxidant; plant metabolite
rosin rosin: Resin from plant. Do not confuse with the specific compound: 3-phenyl-2-propenyl-(E)-beta-D-glucopyranoside, also know as rosin.	2.21	1	0
vitamin d 2 Ergocalciferols: Derivatives of ERGOSTEROL formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. They differ from CHOLECALCIFEROL in having a double bond between C22 and C23 and a methyl group at C24.. vitamin D2 : A vitamin D supplement and has been isolated from alfalfa.	3.1	1	0	hydroxy seco-steroid; seco-ergostane; vitamin D	bone density conservation agent; nutraceutical; plant metabolite; rodenticide
cholecalciferol Cholecalciferol: Derivative of 7-dehydroxycholesterol formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. It differs from ERGOCALCIFEROL in having a single bond between C22 and C23 and lacking a methyl group at C24.. calciol : A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone.	3.1	1	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
rutin Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders.	3.21	1	0	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
alpha-linolenic acid linolenic acid : A two-membered subclass of octadecatrienoic acid comprising the (9Z,12Z,15Z)- and (6Z,9Z,12Z)-isomers. Linolenic acids are nutrients essential to the formation of prostaglandins and are also used in making paints and synthetic resins.. linolenate : A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of either alpha- or gamma-linolenic acid.	2.17	1	0	linolenic acid; omega-3 fatty acid	micronutrient; mouse metabolite; nutraceutical
amphotericin b Amphotericin B: Macrolide antifungal antibiotic produced by Streptomyces nodosus obtained from soil of the Orinoco river region of Venezuela.. amphotericin B : A macrolide antibiotic used to treat potentially life-threatening fungal infections.	2.1	1	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
petroselinic acid petroselinic acid: isomer of oleic acid in parsley seeds; RN given refers to cpd without isomeric designation; NM refers to (Z)-isomer; structure in Merck Index, 9th ed, #6974. petroselinic acid : The cis-isomer of octadec-6-enoic acid, a long-chain fatty acid.	3.18	1	0	octadec-6-enoic acid	plant metabolite
jasmonic acid jasmonic acid: a derivative of alpha-linolenic acid that has a role in plant response to herbivory analogous to the role of prostanoids in inflammation in mammals;. jasmonic acid : An oxo monocarboxylic acid that is (3-oxocyclopentyl)acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 of the cyclopentane ring.	8.87	11	0	oxo monocarboxylic acid	jasmonates; plant metabolite
2-hexenal, z-isomer 2-hexenal: product of lipid peroxidation in the rat liver; a green odor chemical; do not confuse with the hexabarbital synonym, hexenal; RN given refers to cpd without isomeric designation. 2-hexenal : A hexenal having the double bond at the 2-position.. (2E)-hexenal : A 2-hexenal in which the olefinic double bond has E configuration. It occurs naturally in a wide range of fruits, vegetables, and spices.	3.59	8	0	2-hexenal	antibacterial agent; flavouring agent; plant metabolite
lutein Lutein: A xanthophyll found in the major LIGHT-HARVESTING PROTEIN COMPLEXES of plants. Dietary lutein accumulates in the MACULA LUTEA.. xanthophyll : A subclass of carotenoids consisting of the oxygenated carotenes.	2	1	0	carotenol	food colouring; plant metabolite
azadirachtin azadirachtin A : A member of the family of azadirachtins that is isolated from the neem tree (Azadirachta indica).. azadirachtin : A family of terpenoids isolated from the neem tree (Azadirachta indica).	2.04	1	0	acetate ester; azadirachtin; cyclic hemiketal; enoate ester; epoxide; methyl ester; organic heterotetracyclic compound; secondary alcohol; tertiary alcohol	hepatoprotective agent
geranylgeraniol (E,E,E)-geranylgeraniol : A geranylgeraniol in which all four double bonds have E- (trans-) geometry.	2.1	1	0	geranylgeraniol
esculetin esculetin: used in filters for absorption of ultraviolet light; structure. esculetin : A hydroxycoumarin that is umbelliferone in which the hydrogen at position 6 is substituted by a hydroxy group. It is used in filters for absorption of ultraviolet light.	3.1	1	0	hydroxycoumarin	antioxidant; plant metabolite; ultraviolet filter
7-hydroxycoumarin 7-oxycoumarin: derivatives have anti-oxidant properties. umbelliferone : A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7.	3.1	1	0	hydroxycoumarin	fluorescent probe; food component; plant metabolite
caryophyllene (-)-beta-caryophyllene : A beta-caryophyllene in which the stereocentre adjacent to the exocyclic double bond has S configuration while the remaining stereocentre has R configuration. It is the most commonly occurring form of beta-caryophyllene, occurring in many essential oils, particularly oil of cloves.. beta-caryophyllene : A sesquiterpene with a [7.2.0]-bicyclic structure comprising fused 9- and 4-membered rings, with a trans-ring junction, a trans-double bond between the 4- and 5-positions of the 9-membered ring, a methylidene group at position 9, and methyl groups at positions 3, 11, and 11. The most commonly occurring form is the (1R,9S)-(-)-enantiomer, which is found in many essential oils, particularly clove oil.. cannabinoid : A diverse group of pharmacologically active secondary metabolite characteristic to Cannabis plant as well as produced naturally in the body by humans and animals. Cannabinoids contain oxygen as a part of the heterocyclic ring or in the form of various functional groups. They are subdivided on the basis of their origin.	2.95	4	0	beta-caryophyllene	fragrance; insect attractant; metabolite; non-steroidal anti-inflammatory drug
alpha-farnesene alpha-farnesene: structure given in first source. alpha-farnesene : A farnesene that is 1,3,6,10-tetraene substituted by methyl groups at positions 3, 7 and 11 respectively.. farnesene : A sesquiterpene that is any of the four possible isomers of 3,7,11-trimethyl-1,3,6,10-dodecatetraene (alpha-farnesene) or of the two possible isomers of 7,11-dimethyl-3-methylene-1,6,10-dodecatriene.	3.19	5	0	alpha-farnesene
humulene humulene: structure given in first source. (1E,4E,8E)-alpha-humulene : The (1E,4E,8E)-isomer of alpha-humulene.	3.77	10	0	alpha-humulene
baicalein [no description available]	3.52	2	0	trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger
chrysin chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7.	4.05	2	0	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
fisetin [no description available]	3.1	1	0	3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone	anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite
galangin 5,7-dihydroxyflavonol: antimicrobial from the twigs of Populus nigra x Populus deltoides; structure in first source. galangin : A 7-hydroxyflavonol with additional hydroxy groups at positions 3 and 5 respectively; a growth inhibitor of breast tumor cells.	3.1	1	0	7-hydroxyflavonol; trihydroxyflavone	antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite
tricin tricin: from Spartina cynosuroides and other plants; structure	2.21	1	0	3'-methoxyflavones; dimethoxyflavone; trihydroxyflavone	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite
acteoside acteoside: a protein kinase C inhibitor with hepatoprotective, anti-asthmatic, and analgesic activities; a phenylethanoid glycoside related to isoacteoside; from leaves of Lippia multiflora (Verbenaceae). acteoside : A glycoside that is the alpha-L-rhamnosyl-(1->3)-beta-D-glucoside of hydroxytyrosol in which the hydroxy group at position 4 of the glucopyranosyl moiety has undergone esterification by formal condensation with trans-caffeic acid.	2.21	1	0	catechols; cinnamate ester; disaccharide derivative; glycoside; polyphenol	anti-inflammatory agent; antibacterial agent; antileishmanial agent; neuroprotective agent; plant metabolite
ginkgolic acid [no description available]	1.98	1	0	hydroxybenzoic acid
cerulenin Cerulenin: An epoxydodecadienamide isolated from several species, including ACREMONIUM, Acrocylindrum, and Helicoceras. It inhibits the biosynthesis of several lipids by interfering with enzyme function.. cerulenin : An epoxydodecadienamide isolated from several species, including Acremonium, Acrocylindrum and Helicoceras. It inhibits the biosynthesis of several lipids by interfering with enzyme function.	2.05	1	0	epoxide; monocarboxylic acid amide	antifungal agent; antiinfective agent; antilipemic drug; antimetabolite; antimicrobial agent; fatty acid synthesis inhibitor
metofluthrin (2,3,5,6-tetrafluoro-4-methoxymethylphenyl)methyl-2,2-dimethyl-3-(1-propenyl)cyclopropanecarboxylate: pyrethroid active against mosquitoes; metofluthrin is the (1R,3R)-isomer; structure in first source	2.31	1	0	carboxylic ester
4-hydroxyestradiol 4-hydroxyestradiol: catechol estrogen. 4-hydroxy-17beta-estradiol : A 4-hydroxy steroid that consists of 17beta-estradiol having an additional hydroxy group at position 4.	3.1	1	0	4-hydroxy steroid	metabolite
isotretinoin Isotretinoin: A topical dermatologic agent that is used in the treatment of ACNE VULGARIS and several other skin diseases. The drug has teratogenic and other adverse effects.. isotretinoin : A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases.	3.1	1	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
2,4-heptadienal 2,4-heptadienal: structure in first source. (E,E)-hepta-2,4-dienal : A heptadienal in which the two double bonds are located at positions 2 and 4 (the E,E-geoisomer).	2.45	2	0	heptadienal	flavouring agent
(2e)-decenal (2E)-decenal: structure in first source. (2E)-dec-2-enal : A dec-2-enal in which the olefinic double bond has E configuration.	2.06	1	0	2-decenal	alarm pheromone; mutagen; nematicide
1-monooleoyl-rac-glycerol Peceol: lipid excipient containing readily dispersible mixture of mono- & diglycerides of oleic acid. 1-oleoylglycerol : A 1-monoglyceride where the acyl group is oleoyl.. monooleoylglycerol : A monoglyceride in which the acyl group is oleoyl with the position of acylation unspecified.	2.06	1	0	1-acylglycerol 18:1; monooleoylglycerol	plant metabolite
hyodeoxycholic acid hyodeoxycholic acid: differs from deoxycholic acid in that the 6 alpha-OH is in the 12 position in the former; RN given refers to (3alpha,5beta,6alpha)-isomer. hyodeoxycholic acid : A member of the class of 5beta-cholanic acids that is (5beta)-cholan-24-oic acid substituted by alpha-hydroxy groups at positions 3 and 6.	3.1	1	0	5beta-cholanic acids; 6alpha,20xi-murideoxycholic acid; bile acid; C24-steroid	human metabolite; mouse metabolite
codeine [no description available]	3.1	1	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
nerolidol (6E)-nerolidol : A nerolidol in which the double bond at position 6 adopts a trans-configuration.	1.98	1	0	nerolidol
hydromorphone Hydromorphone: An opioid analgesic made from MORPHINE and used mainly as an analgesic. It has a shorter duration of action than morphine.. hydromorphone : A morphinane alkaloid that is a hydrogenated ketone derivative of morphine. A semi-synthetic drug, it is a centrally acting pain medication of the opioid class.	3.1	1	0	morphinane alkaloid; organic heteropentacyclic compound	mu-opioid receptor agonist; opioid analgesic
nalmefene nalmefene: RN given refers to 5-alpha isomer	3.1	1	0	morphinane alkaloid
nalorphine Nalorphine: A narcotic antagonist with some agonist properties. It is an antagonist at mu opioid receptors and an agonist at kappa opioid receptors. Given alone it produces a broad spectrum of unpleasant effects and it is considered to be clinically obsolete.	3.1	1	0	morphinane alkaloid
naloxone Naloxone: A specific opiate antagonist that has no agonist activity. It is a competitive antagonist at mu, delta, and kappa opioid receptors.. naloxone : A synthetic morphinane alkaloid that is morphinone in which the enone double bond has been reduced to a single bond, the hydrogen at position 14 has been replaced by a hydroxy group, and the methyl group attached to the nitrogen has been replaced by an allyl group. A specific opioid antagonist, it is used (commonly as its hydrochloride salt) to reverse the effects of opioids, both following their use of opioids during surgery and in cases of known or suspected opioid overdose.	3.84	3	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
oxycodone Oxycodone: A semisynthetic derivative of CODEINE.. oxycodone : A semisynthetic opioid of formula C18H21NO4 that is derived from thebaine. It is a moderately potent opioid analgesic, generally used for relief of moderate to severe pain.	3.1	1	0	organic heteropentacyclic compound; semisynthetic derivative	antitussive; mu-opioid receptor agonist; opioid analgesic
oxymorphone Oxymorphone: An opioid analgesic with actions and uses similar to those of MORPHINE, apart from an absence of cough suppressant activity. It is used in the treatment of moderate to severe pain, including pain in obstetrics. It may also be used as an adjunct to anesthesia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1092)	3.1	1	0	morphinane alkaloid
6alpha-hydroxy-17beta-estradiol 6alpha-hydroxy-17beta-estradiol : A 4-hydroxy steroid that consists of 17beta-estradiol bearing an additional 6alpha-hydroxy substituent.	3.1	1	0	6alpha-hydroxy steroid
morphine Meconium: The thick green-to-black mucilaginous material found in the intestines of a full-term fetus. It consists of secretions of the INTESTINAL GLANDS; BILE PIGMENTS; FATTY ACIDS; AMNIOTIC FLUID; and intrauterine debris. It constitutes the first stools passed by a newborn.	8.53	2	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
xylulose [no description available]	7.42	2	0	xylulose	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
nalbuphine Nalbuphine: A narcotic used as a pain medication. It appears to be an agonist at KAPPA RECEPTORS and an antagonist or partial agonist at MU RECEPTORS.	3.1	1	0	organic heteropentacyclic compound	mu-opioid receptor antagonist; opioid analgesic
cannabigerol cannabigerol: RN given refers to (E)-isomer; structure given in first source. cannabigerol : A member of the class of resorcinols that is resorcinol which is substituted by a (2E)-3,7-dimethylocta-2,6-dien-1-yl group at position 2 and by a pentyl group at position 5. It is a natural product found in Cannabis sativa and Helichrysum species.	2.41	1	0	phytocannabinoid; resorcinols	anti-inflammatory agent; antibacterial agent; antioxidant; appetite enhancer; cannabinoid receptor agonist; neuroprotective agent; plant metabolite
cinnamyl alcohol cinnamyl alcohol: RN given refers to parent cpd without isomeric designation. (E)-cinnamyl alcohol : The E (trans) stereoisomer of cinnamyl alcohol.. cinnamyl alcohol : A primary alcohol comprising an allyl core with a hydroxy substituent at the 1-position and a phenyl substituent at the 3-position (geometry of the C=C bond unspecified).	3.55	2	0	cinnamyl alcohol	plant metabolite
beta-farnesene beta-farnesene: structure given in first source	2.97	4	0	beta-farnesene
nerolidol nerolidol: sesquiterpene; RN given refers to cpd without isomeric designation; nerol is also available. nerolidol : A farnesane sesquiterpenoid that is dodeca-1,6,10-triene which carries methyl groups at positions 3, 7 and 11 and a hydroxy group at position 3. It is a natural product that is present in various flowers and plants with a floral odor. Chemically, it exists in two geometric isomers, trans and cis forms. It is widely used in cosmetics (e.g. shampoos and perfumes), in non-cosmetic products (e.g. detergents and cleansers) and also as a food flavoring agent.. (6Z)-nerolidol : A nerolidol in which the double bond at position 6 adopts a cis-configuration.	4.72	26	0	nerolidol
alpha-ocimene [no description available]	2.13	1	0
beta-ocimene beta-ocimene : The trans-stereoisomer of ocimene.. (Z)-beta-ocimene : A beta-ocimene that consists of octa-1,3,6-triene bearing two methyl substituents at positions 3 and 7 (the 3Z-isomer).	4.22	16	0	beta-ocimene	plant metabolite
caryophyllene caryophyllene: RN given refers to cpd without isomeric designation; structure given in first source	5.99	32	0
3-hexenylacetate 3-hexenylacetate: RN refers to (Z)-isomer	3.56	8	0	carboxylic ester
aluminum Aluminum: A metallic element that has the atomic number 13, atomic symbol Al, and atomic weight 26.98.	2.03	1	0	boron group element atom; elemental aluminium; metal atom
levorphanol Levorphanol: A narcotic analgesic that may be habit-forming. It is nearly as effective orally as by injection.	3.1	1	0	morphinane alkaloid
arsenic Arsenic: A shiny gray element with atomic symbol As, atomic number 33, and atomic weight 75. It occurs throughout the universe, mostly in the form of metallic arsenides. Most forms are toxic. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), arsenic and certain arsenic compounds have been listed as known carcinogens. (From Merck Index, 11th ed)	7.57	2	0	metalloid atom; pnictogen	micronutrient
naltrexone Naltrexone: Derivative of noroxymorphone that is the N-cyclopropylmethyl congener of NALOXONE. It is a narcotic antagonist that is effective orally, longer lasting and more potent than naloxone, and has been proposed for the treatment of heroin addiction. The FDA has approved naltrexone for the treatment of alcohol dependence.. naltrexone : An organic heteropentacyclic compound that is naloxone substituted in which the allyl group attached to the nitrogen is replaced by a cyclopropylmethyl group. A mu-opioid receptor antagonist, it is used to treat alcohol dependence.	3.1	1	0	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
2-pentenal 2-pentenal: RN given refers to cpd without isomeric designation. 2-pentenal : An enal consisting of pent-2-ene having an oxo group at the 1-position. (E)-2-pentenal : A 2-pentenal in which the double bond has (E)-configuration. It is found in cigarette smoke, virgin olive oil, and milk.	2.02	1	0	2-pentenal	plant metabolite
musk musk: pure essence from secretion of preputial follicles of Moschus moschiferus L.	2.11	1	0	macrolide
beta-damascenone beta-damascenone: from Ipomoea pes-caprea; RN given refers to cpd without isomeric designation; RN 23726-93-4 refers to beta-damascenone; structure given in first source. beta-damascenone : A cyclic monoterpene ketone that is 2,6,6-trimethylcyclohexa-1,3-diene substituted at position 1 by a crotonoyl group.	3.19	5	0	apo carotenoid monoterpenoid; cyclic monoterpene ketone; enone	fragrance; plant metabolite; volatile oil component
germacrene d germacrene D: RN in 9th CI Form Index for unspecified stereoisomer: 37839-63-7	3.36	6	0
normorphine normorphine: RN given refers to (5 alpha,6 alpha)-isomer	3.1	1	0	morphinane alkaloid
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid: chromogen in glucose oxidase-peroxidase method for determining serum glucose; used in free radical scavenging assays; structure in first source	2.48	2	0
lavandulol lavandulol: defensive pheromone of the red-lined carrion beetle and additive in perfumes; structure in first source. lavandulol : A monoterpenoid alcohol that is hepta-1-5-diene which is substituted at positions 2 and 6 by methyl groups and at position 3 by a hydroxymethyl group. It is commonly found in lavender oil.	2.41	1	0	lavandulol
n-methylnaloxone N-methylnaloxone: quaternary derivative of naloxone	2.11	1	0
naltrindole benzofuran naltrindole benzofuran: structure given in first source	3.1	1	0	morphinane alkaloid
naltrindole naltrindole: delta opioid receptor antagonist	3.1	1	0	isoquinolines
abscisic acid Abscisic Acid: Abscission-accelerating plant growth substance isolated from young cotton fruit, leaves of sycamore, birch, and other plants, and from potatoes, lemons, avocados, and other fruits.. (S)-2-trans-abscisic acid : A 2-trans-abscisic acid with (S)-configuration at the chiral centre.. (+)-abscisic acid : The naturally occurring (1'S)-(+) enantiomer of abscisic acid. It is an important sesquiterpenoid plant hormone which acts as a regulator of plant responses to environmental stresses such as drought and cold.	2.57	2	0	2-trans-abscisic acid
germacrene a germacrene A: RN given for (S-(E,E))-isomer; structure in first source	2.01	1	0	germacrene; sesquiterpene
bisabolol bisabolol: monocyclic sesquiterpene alcohol with strong bacteriocidal effects, especilly against M. Tuberc.; isolated from seed plant Populus tacamacaha; RN given refers to cpd without isomeric desigation	2.13	1	0
mevalonolactone mevalonolactone: RN given refers to unlabeled cpd without isomeric designation; structure. mevalonolactone : A racemate comprising equimolar amounts of (R)-mevalonolactone and (S)-mevalonolactone.	2.42	2	0	4-hydroxy-4-methyloxan-2-one	fungal metabolite; plant metabolite
dizocilpine maleate Dizocilpine Maleate: A potent noncompetitive antagonist of the NMDA receptor (RECEPTORS, N-METHYL-D-ASPARTATE) used mainly as a research tool. The drug has been considered for the wide variety of neurodegenerative conditions or disorders in which NMDA receptors may play an important role. Its use has been primarily limited to animal and tissue experiments because of its psychotropic effects.. dizocilpine maleate : A maleate salt obtained by reaction of dizocilpine with one equivalent of maleic acid.	2.71	3	0	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
cadinol cadinol: from callus cultures of Chamomilla recutita (Asteraceae)	3.06	4	0
cedrene cedrene: major constituent of cedarwood oil. cedr-8-ene : A sesquiterpene that is cedrane which has a double bond between positions 8 and 9.	2.1	1	0	bridged compound; carbotricyclic compound; polycyclic olefin; sesquiterpene	human urinary metabolite; volatile oil component
gamma-eudesmol gamma-eudesmol: isomer of beta-eudesmol; found in plants and fungi. gamma-eudesmol : A eudesmane sesquiterpenoid in which the eudesmane skeleton carries a hydroxy substituent at C-11 and has a double bond between C-4 and C-5.	2.17	1	0	eudesmane sesquiterpenoid	volatile oil component
isopentenol isopentenol : An enol that is 3-methylbut-1-ene in which one of the terminal hydrogens is replaced by a hydroxy group.	2.76	2	0	enol
valerenic acid valerenic acid: a saturated oplopanone type indene from Valeriana officinalis. valerenic acid : A monocarboxylic acid that is 2-methylprop-2-enoic acid which is substituted at position 3 by a 3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl group. A bicyclic sesquiterpenoid constituent of the essential oil of the Valerian plant.	2.6	1	0	carbobicyclic compound; monocarboxylic acid; sesquiterpenoid	GABA modulator; plant metabolite; sedative; volatile oil component
19-hydroxycholesterol 19-hydroxycholesterol: structure given in first source	3.1	1	0	cholestanoid
borneol [no description available]	3.8	3	0	borneol
beta-elemene beta-elemene: increases tumor cell immunogenicity by inducing, at least in part, elevated expression of heat shock protein 70 on tumor cell surface. beta-elemene : A sesquiterpene that consists of cyclohexane bearing methyl and vinyl substituents at position 1 as well as two isopropenyl substituents at positions 2 and 4.. (-)-beta-elemene : The (-)-enantiomer of beta-elemene that has (1S,2S,4R)-configuration.	3.21	5	0	beta-elemene	antineoplastic agent
bornyl acetate [no description available]	2.8	3	0	acetate ester; monoterpenoid
isoborneol isoborneol: RN given refers to cpd without isomeric designation; structure	3.65	8	0	borneol
1-deoxy-2-pentulose [no description available]	2.03	1	0	deoxypentose	Escherichia coli metabolite
chlorhexidine Chlorhexidine: A disinfectant and topical anti-infective agent used also as mouthwash to prevent oral plaque.. chlorhexidine : A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge.	2.15	1	0	biguanides; monochlorobenzenes	antibacterial agent; antiinfective agent
valencene valencene: structure in first source. (+)-valencene : A carbobicyclic compound and sesquiterpene that is 1,2,3,4,4a,5,6,7-octahydronaphthalene which is substituted a prop-1-en-2-yl group at position 3 and by methyl groups at positions 4a and 5 (the 3R,4aS,5R- diastereoisomer).	7.5	2	0	carbobicyclic compound; polycyclic olefin; sesquiterpene
mocetinostat mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11).	2.52	2	0	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic acid [no description available]	1.98	1	0	hydroxybenzoic acid
norcodeine norcodeine: RN given refers to (5 alpha,6 alpha)-isomer. norcodeine : A morphinane-like compound that is the N-demethylated derivative of codeine.	3.1	1	0	morphinane alkaloid
4-hydroxyestrone 4-hydroxyestrone : A 4-hydroxy steroid that is estrone substituted by a hydroxy group at position 4.	3.1	1	0	17-oxo steroid; 3-hydroxy steroid; 4-hydroxy steroid; catechols; phenolic steroid	carcinogenic agent; estrogen; human urinary metabolite
beta-bisabolene (S)-beta-bisabolene : A beta-bisabolene which has (1S)-configuration.. beta-bisabolene : A bisabolene that is cyclohexene substituted by a methyl group at position 1 and a 6-methylhepta-1,5-dien-2-yl group at position 4.	2.78	3	0	beta-bisabolene
11 beta-hydroxyandrosterone 11 beta-hydroxyandrosterone: RN given refers to (3alpha,5alpha,11beta)-isomer; structure	3.1	1	0	3-hydroxy steroid	androgen
2-hydroxyestriol 2-hydroxyestriol: structure	3.1	1	0
oxadiazoles Oxadiazoles: Compounds containing five-membered heteroaromatic rings containing two carbons, two nitrogens, and one oxygen atom which exist in various regioisomeric forms.	2.11	1	0
alloaromadendrene alloaromadendrene: isolated from the volatile oil of the soft corals Clavularia viridis and Sarcophyton acutangulum; structure in first source	2.1	1	0
cannabidivarin cannabidivarin: from Cannabis sativa	2.72	2	0	monoterpenoid
caryolan-1-ol caryolan-1-ol: structure in first source	2.1	1	0
doramectin [no description available]	2	1	0	macrolide
dextrothyroxine [no description available]	2.4	2	0
viridiflorol viridiflorol: a strong feeding deterrent for the melaleuca weevil that retards larval development; structure in first source. viridiflorol : A carbotricyclic compound that is (1aS,4aR,7aR,7bR)-decahydro-1H-cyclopropa[e]azulene carrying four methyl substituents at positions 1, 1, 4 and 7 as well as a hydroxy substituent at position 4. It is a sesquiterpenoid isolated from several plant species and is a strong feeding deterrent for the melaleuca weevil that retards larval development.	2.49	2	0	carbotricyclic compound; sesquiterpenoid; tertiary alcohol	anti-inflammatory agent; antifeedant; antimycobacterial drug; plant metabolite; volatile oil component
longipinene longipinene: isolated from Santolina viscosa; structure in first source	7.15	1	0	alpha-longipinene	metabolite
7-hydroxycalamenene 7-hydroxycalamenene: from Malagasy liverwort, Bazzania nitida; structure in first source	2.1	1	0
3-hydroxyhexan-2-one 3-hydroxyhexan-2-one: an aggregation pheromone	2.11	1	0
nad NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety.	1.98	1	0	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
neuropeptide y Neuropeptide Y: A 36-amino acid peptide present in many organs and in many sympathetic noradrenergic neurons. It has vasoconstrictor and natriuretic activity and regulates local blood flow, glandular secretion, and smooth muscle activity. The peptide also stimulates feeding and drinking behavior and influences secretion of pituitary hormones.	3.89	2	1
tannins Tannins: Polyphenolic compounds with molecular weights of around 500-3000 daltons and containing enough hydroxyl groups (1-2 per 100 MW) for effective cross linking of other compounds (ASTRINGENTS). The two main types are HYDROLYZABLE TANNINS and CONDENSED TANNINS. Historically, the term has applied to many compounds and plant extracts able to render skin COLLAGEN impervious to degradation. The word tannin derives from the Celtic word for OAK TREE which was used for leather processing.	2.15	1	0
cellulose DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications.	7.72	2	0	glycoside
chlorophyll a Chlorophyll: Porphyrin derivatives containing magnesium that act to convert light energy in photosynthetic organisms.. chlorophyll : A family of magnesium porphyrins, defined by the presence of a fifth ring beyond the four pyrrole-like rings. The rings can have various side chains which usually include a long phytol chain.	2.1	1	0	chlorophyll; methyl ester	cofactor
chitosan [no description available]	3.36	5	0
sodium hypochlorite Sodium Hypochlorite: It is used as an oxidizing and bleaching agent and as a disinfectant. (From Grant & Hackh's Chemical Dictionary, 5th ed). sodium hypochlorite : An inorganic sodium salt in which hypochlorite is the counterion. It is used as a bleaching and disinfecting agent and is commonly found in household bleach.	2.17	1	0	inorganic sodium salt	bleaching agent; disinfectant
methyl jasmonate [no description available]	3.78	10	0
vuf10166 [no description available]	3.25	1	0
picrotoxin Picrotoxin: A noncompetitive antagonist at GABA-A receptors and thus a convulsant. Picrotoxin blocks the GAMMA-AMINOBUTYRIC ACID-activated chloride ionophore. Although it is most often used as a research tool, it has been used as a CNS stimulant and an antidote in poisoning by CNS depressants, especially the barbiturates.. picrotoxin : A mixture consisting of equimolar amounts of picrotoxinin and picrotin found in the climbing plant Anamirta cocculus.	2.15	1	0
phillyrin [no description available]	2.13	1	0
3-methoxy-n-p-tolylquinoxalin-2-carboxamide 3-methoxy-N-p-tolylquinoxalin-2-carboxamide: a 5-HT3 receptor antagonist that possesses both antidepressant and anxiolytic activities	3.25	1	0
novobiocin Novobiocin: An antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189). novobiocin : A coumarin-derived antibiotic obtained from Streptomyces niveus.	3.1	1	0	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent
tetracycline Tetracycline: A naphthacene antibiotic that inhibits AMINO ACYL TRNA binding during protein synthesis.. tetracycline : A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria.	3.55	2	0
salicylates Salicylates: The salts or esters of salicylic acids, or salicylate esters of an organic acid. Some of these have analgesic, antipyretic, and anti-inflammatory activities by inhibiting prostaglandin synthesis.. hydroxybenzoate : Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent.. salicylates : Any salt or ester arising from reaction of the carboxy group of salicylic acid, or any ester resulting from the condensation of the phenolic hydroxy group of salicylic acid with an organic acid.. salicylate : A monohydroxybenzoate that is the conjugate base of salicylic acid.	3.57	8	0	monohydroxybenzoate	plant metabolite
warfarin Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group.	2.11	1	0	benzenes; hydroxycoumarin; methyl ketone
4-hydroxycoumarin 2-hydroxychromone: structure	3.1	1	0	hydroxycoumarin
transforming growth factor beta Transforming Growth Factor beta: A factor synthesized in a wide variety of tissues. It acts synergistically with TGF-alpha in inducing phenotypic transformation and can also act as a negative autocrine growth factor. TGF-beta has a potential role in embryonal development, cellular differentiation, hormone secretion, and immune function. TGF-beta is found mostly as homodimer forms of separate gene products TGF-beta1, TGF-beta2 or TGF-beta3. Heterodimers composed of TGF-beta1 and 2 (TGF-beta1.2) or of TGF-beta2 and 3 (TGF-beta2.3) have been isolated. The TGF-beta proteins are synthesized as precursor proteins.	2.08	1	0
pyrethrins [no description available]	2.15	1	0
agar Agar: A complex sulfated polymer of galactose units, extracted from Gelidium cartilagineum, Gracilaria confervoides, and related red algae. It is used as a gel in the preparation of solid culture media for microorganisms, as a bulk laxative, in making emulsions, and as a supporting medium for immunodiffusion and immunoelectrophoresis.. agar : A complex mixture of polysaccharides extracted from species of red algae. Its two main components are agarose and agaropectin. Agarose is the component responsible for the high-strength gelling properties of agar, while agaropectin provides the viscous properties.	7.1	1	0
caseins Caseins: A mixture of related phosphoproteins occurring in milk and cheese. The group is characterized as one of the most nutritive milk proteins, containing all of the common amino acids and rich in the essential ones.	2.25	1	0
2-(2'-pyridyldithio)benzyldiazoacetate 2-(2'-pyridyldithio)benzyldiazoacetate: structure given in first source; isomeric probe	2.6	1	0
hyaluronoglucosaminidase Hyaluronoglucosaminidase: An enzyme that catalyzes the random hydrolysis of 1,4-linkages between N-acetyl-beta-D-glucosamine and D-glucuronate residues in hyaluronate. (From Enzyme Nomenclature, 1992) There has been use as ANTINEOPLASTIC AGENTS to limit NEOPLASM METASTASIS.	2.31	1	0
norgestrel Norgestrel: A synthetic progestational agent with actions similar to those of PROGESTERONE. This racemic or (+-)-form has about half the potency of the levo form (LEVONORGESTREL). Norgestrel is used as a contraceptive, ovulation inhibitor, and for the control of menstrual disorders and endometriosis.	7.1	1	0
moxidectin moxidectin: family of macrolide antibiotics with insecticidal & acaricidal activity	2	1	0
neopterin [no description available]	2.1	1	0
rifampin Rifampin: A semisynthetic antibiotic produced from Streptomyces mediterranei. It has a broad antibacterial spectrum, including activity against several forms of Mycobacterium. In susceptible organisms it inhibits DNA-dependent RNA polymerase activity by forming a stable complex with the enzyme. It thus suppresses the initiation of RNA synthesis. Rifampin is bactericidal, and acts on both intracellular and extracellular organisms. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p1160)	3.57	2	0	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor
clozapine Clozapine: A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent.. clozapine : A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia.	3.1	1	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic
norclozapine norclozapine: structure given in first source. N-desmethylclozapine : A dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist.	3.1	1	0	dibenzodiazepine; organochlorine compound; piperazines	delta-opioid receptor agonist; metabolite; serotonergic antagonist
maltodextrin maltodextrin : A dextrin in which the D-glucose units are linked by alpha-(1->4) glycosidic bonds.	2.25	1	0
leptin Leptin: A 16-kDa peptide hormone secreted from WHITE ADIPOCYTES. Leptin serves as a feedback signal from fat cells to the CENTRAL NERVOUS SYSTEM in regulation of food intake, energy balance, and fat storage.	2.25	1	0

Condition	Relationship Strength	Studies	Trials
Acne [description not available]	1.98	1	0
Acne Vulgaris A chronic disorder of the pilosebaceous apparatus associated with an increase in sebum secretion. It is characterized by open comedones (blackheads), closed comedones (whiteheads), and pustular nodules. The cause is unknown, but heredity and age are predisposing factors.	1.98	1	0
Bilirubinemia [description not available]	2.92	1	0
Benign Neoplasms [description not available]	4.36	4	0
Neoplasms New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.	4.36	4	0
Endotoxin Shock [description not available]	2.05	1	0
Shock, Septic Sepsis associated with HYPOTENSION or hypoperfusion despite adequate fluid resuscitation. Perfusion abnormalities may include but are not limited to LACTIC ACIDOSIS; OLIGURIA; or acute alteration in mental status.	2.05	1	0
Innate Inflammatory Response [description not available]	2.82	3	0
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	7.82	3	0
Tuberculosis, Drug-Resistant [description not available]	2.1	1	0
Koch's Disease [description not available]	2.1	1	0
Tuberculosis Any of the infectious diseases of man and other animals caused by species of MYCOBACTERIUM TUBERCULOSIS.	2.1	1	0
Tuberculosis, Multidrug-Resistant Tuberculosis resistant to chemotherapy with two or more ANTITUBERCULAR AGENTS, including at least ISONIAZID and RIFAMPICIN. The problem of resistance is particularly troublesome in tuberculous OPPORTUNISTIC INFECTIONS associated with HIV INFECTIONS. It requires the use of second line drugs which are more toxic than the first line regimens. TB with isolates that have developed further resistance to at least three of the six classes of second line drugs is defined as EXTENSIVELY DRUG-RESISTANT TUBERCULOSIS.	2.1	1	0
Cancer of Lung [description not available]	2.41	1	0
Lung Neoplasms Tumors or cancer of the LUNG.	2.41	1	0
Allergic Contact Dermatitis [description not available]	11.53	40	0
Dermatosclerosis [description not available]	2.41	1	0
Scleroderma, Localized A term used to describe a variety of localized asymmetrical SKIN thickening that is similar to those of SYSTEMIC SCLERODERMA but without the disease features in the multiple internal organs and BLOOD VESSELS. Lesions may be characterized as patches or plaques (morphea), bands (linear), or nodules.	2.41	1	0
Dermatitis, Allergic Contact A contact dermatitis due to allergic sensitization to various substances. These substances subsequently produce inflammatory reactions in the skin of those who have acquired hypersensitivity to them as a result of prior exposure.	6.53	40	0
Depression Depressive states usually of moderate intensity in contrast with MAJOR DEPRESSIVE DISORDER present in neurotic and psychotic disorders.	8.47	2	0
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	7.67	36	0
Anxiety Feelings or emotions of dread, apprehension, and impending disaster but not disabling as with ANXIETY DISORDERS.	3.47	7	0
Blood Pressure, High [description not available]	2.63	2	0
Hypertension Persistently high systemic arterial BLOOD PRESSURE. Based on multiple readings (BLOOD PRESSURE DETERMINATION), hypertension is currently defined as when SYSTOLIC PRESSURE is consistently greater than 140 mm Hg or when DIASTOLIC PRESSURE is consistently 90 mm Hg or more.	2.63	2	0
Mange, Sarcoptic [description not available]	2.82	2	0
Scabies A contagious cutaneous inflammation caused by the bite of the mite SARCOPTES SCABIEI. It is characterized by pruritic papular eruptions and burrows and affects primarily the axillae, elbows, wrists, and genitalia, although it can spread to cover the entire body.	2.82	2	0
B16 Melanoma [description not available]	2.41	1	0
Metastase [description not available]	2.61	2	0
Angiogenesis, Pathologic [description not available]	2.41	1	0
Neoplasm Metastasis The transfer of a neoplasm from one organ or part of the body to another remote from the primary site.	2.61	2	0
Bacterial Vaginitides [description not available]	2.41	1	0
Vaginosis, Bacterial Polymicrobial, nonspecific vaginitis associated with positive cultures of Gardnerella vaginalis and other anaerobic organisms and a decrease in lactobacilli. It remains unclear whether the initial pathogenic event is caused by the growth of anaerobes or a primary decrease in lactobacilli.	2.41	1	0
Nail Fungus [description not available]	2.41	1	0
Onychomycosis A fungal infection of the nail, usually caused by DERMATOPHYTES; YEASTS; or nondermatophyte MOLDS.	2.41	1	0
Dyslipidemia [description not available]	2.41	1	0
Dyslipidemias Abnormalities in the serum levels of LIPIDS, including overproduction or deficiency. Abnormal serum lipid profiles may include high total CHOLESTEROL, high TRIGLYCERIDES, low HIGH DENSITY LIPOPROTEIN CHOLESTEROL, and elevated LOW DENSITY LIPOPROTEIN CHOLESTEROL.	2.41	1	0
Idiopathic Parkinson Disease [description not available]	3.98	3	0
Parkinson Disease A progressive, degenerative neurologic disease characterized by a TREMOR that is maximal at rest, retropulsion (i.e. a tendency to fall backwards), rigidity, stooped posture, slowness of voluntary movements, and a masklike facial expression. Pathologic features include loss of melanin containing neurons in the substantia nigra and other pigmented nuclei of the brainstem. LEWY BODIES are present in the substantia nigra and locus coeruleus but may also be found in a related condition (LEWY BODY DISEASE, DIFFUSE) characterized by dementia in combination with varying degrees of parkinsonism. (Adams et al., Principles of Neurology, 6th ed, p1059, pp1067-75)	3.98	3	0
Breast Cancer [description not available]	3.04	4	0
Breast Neoplasms Tumors or cancer of the human BREAST.	3.04	4	0
Colorectal Cancer [description not available]	7.58	2	0
Colorectal Neoplasms Tumors or cancer of the COLON or the RECTUM or both. Risk factors for colorectal cancer include chronic ULCERATIVE COLITIS; FAMILIAL POLYPOSIS COLI; exposure to ASBESTOS; and irradiation of the CERVIX UTERI.	2.58	2	0
Arthritis, Degenerative [description not available]	2.41	1	0
Osteoarthritis A progressive, degenerative joint disease, the most common form of arthritis, especially in older persons. The disease is thought to result not from the aging process but from biochemical changes and biomechanical stresses affecting articular cartilage. In the foreign literature it is often called osteoarthrosis deformans.	7.41	1	0
Mastitis, Bovine INFLAMMATION of the UDDER in cows.	3.01	2	0
Acute Hypercapnic Respiratory Failure [description not available]	2.6	1	0
Respiratory Insufficiency Failure to adequately provide oxygen to cells of the body and to remove excess carbon dioxide from them. (Stedman, 25th ed)	2.6	1	0
Acute Confusional Senile Dementia [description not available]	3.86	3	0
Alzheimer Disease A degenerative disease of the BRAIN characterized by the insidious onset of DEMENTIA. Impairment of MEMORY, judgment, attention span, and problem solving skills are followed by severe APRAXIAS and a global loss of cognitive abilities. The condition primarily occurs after age 60, and is marked pathologically by severe cortical atrophy and the triad of SENILE PLAQUES; NEUROFIBRILLARY TANGLES; and NEUROPIL THREADS. (From Adams et al., Principles of Neurology, 6th ed, pp1049-57)	3.86	3	0
Acute Kidney Failure [description not available]	2.6	1	0
Acute Kidney Injury Abrupt reduction in kidney function. Acute kidney injury encompasses the entire spectrum of the syndrome including acute kidney failure; ACUTE KIDNEY TUBULAR NECROSIS; and other less severe conditions.	2.6	1	0
Behavior Disorders [description not available]	2.6	1	0
Mental Disorders Psychiatric illness or diseases manifested by breakdowns in the adaptational process expressed primarily as abnormalities of thought, feeling, and behavior producing either distress or impairment of function.	2.6	1	0
Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.	5.08	3	1
Adjuvant Arthritis [description not available]	2.58	2	0
Rheumatoid Arthritis [description not available]	2.6	1	0
Plica Syndrome [description not available]	2.6	1	0
Arthritis, Rheumatoid A chronic systemic disease, primarily of the joints, marked by inflammatory changes in the synovial membranes and articular structures, widespread fibrinoid degeneration of the collagen fibers in mesenchymal tissues, and by atrophy and rarefaction of bony structures. Etiology is unknown, but autoimmune mechanisms have been implicated.	2.6	1	0
Synovitis Inflammation of the SYNOVIAL MEMBRANE.	7.6	1	0
Infections, Staphylococcal [description not available]	2.69	2	0
Staphylococcal Infections Infections with bacteria of the genus STAPHYLOCOCCUS.	2.69	2	0
Fatty Liver, Nonalcoholic [description not available]	2.76	2	0
Liver Steatosis [description not available]	2.6	1	0
Fatty Liver Lipid infiltration of the hepatic parenchymal cells resulting in a yellow-colored liver. The abnormal lipid accumulation is usually in the form of TRIGLYCERIDES, either as a single large droplet or multiple small droplets. Fatty liver is caused by an imbalance in the metabolism of FATTY ACIDS.	2.6	1	0
Non-alcoholic Fatty Liver Disease Fatty liver finding without excessive ALCOHOL CONSUMPTION.	2.76	2	0
Injury, Ischemia-Reperfusion [description not available]	2.82	2	0
Ischemia A hypoperfusion of the BLOOD through an organ or tissue caused by a PATHOLOGIC CONSTRICTION or obstruction of its BLOOD VESSELS, or an absence of BLOOD CIRCULATION.	2.82	2	0
Reperfusion Injury Adverse functional, metabolic, or structural changes in tissues that result from the restoration of blood flow to the tissue (REPERFUSION) following ISCHEMIA.	7.82	2	0
Deficiency Diseases A condition produced by dietary or metabolic deficiency. The term includes all diseases caused by an insufficient supply of essential nutrients, i.e., protein (or amino acids), vitamins, and minerals. It also includes an inadequacy of calories. (From Dorland, 27th ed; Stedman, 25th ed)	2.21	1	0
Alopecia Cicatrisata [description not available]	2.25	1	0
Cirrhosis [description not available]	2.25	1	0
Lichen Ruber Planus [description not available]	2.25	1	0
Alopecia Absence of hair from areas where it is normally present.	2.25	1	0
Fibrosis Any pathological condition where fibrous connective tissue invades any organ, usually as a consequence of inflammation or other injury.	2.25	1	0
Lichen Planus An inflammatory, pruritic disease of the skin and mucous membranes, which can be either generalized or localized. It is characterized by distinctive purplish, flat-topped papules having a predilection for the trunk and flexor surfaces. The lesions may be discrete or coalesce to form plaques. Histologically, there is a saw-tooth pattern of epidermal hyperplasia and vacuolar alteration of the basal layer of the epidermis along with an intense upper dermal inflammatory infiltrate composed predominantly of T-cells. Etiology is unknown.	2.25	1	0
Dermatitis, Occupational A recurrent contact dermatitis caused by substances found in the work place.	3.88	3	0
Dermatitis, Irritant A non-allergic contact dermatitis caused by prolonged exposure to irritants and not explained by delayed hypersensitivity mechanisms.	2.25	1	0
Absence Seizure [description not available]	2.98	4	0
Seizures Clinical or subclinical disturbances of cortical function due to a sudden, abnormal, excessive, and disorganized discharge of brain cells. Clinical manifestations include abnormal motor, sensory and psychic phenomena. Recurrent seizures are usually referred to as EPILEPSY or seizure disorder.	2.98	4	0
Palmoplantaris Pustulosis [description not available]	2.41	2	0
Psoriasis A common genetically determined, chronic, inflammatory skin disease characterized by rounded erythematous, dry, scaling patches. The lesions have a predilection for nails, scalp, genitalia, extensor surfaces, and the lumbosacral region. Accelerated epidermopoiesis is considered to be the fundamental pathologic feature in psoriasis.	7.41	2	0
Diffuse Myofascial Pain Syndrome [description not available]	2.55	2	0
Fibromyalgia A common nonarticular rheumatic syndrome characterized by myalgia and multiple points of focal muscle tenderness to palpation (trigger points). Muscle pain is typically aggravated by inactivity or exposure to cold. This condition is often associated with general symptoms, such as sleep disturbances, fatigue, stiffness, HEADACHES, and occasionally DEPRESSION. There is significant overlap between fibromyalgia and the chronic fatigue syndrome (FATIGUE SYNDROME, CHRONIC). Fibromyalgia may arise as a primary or secondary disease process. It is most frequent in females aged 20 to 50 years. (From Adams et al., Principles of Neurology, 6th ed, p1494-95)	2.55	2	0
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	2.25	1	0
Obesity A status with BODY WEIGHT that is grossly above the recommended standards, usually due to accumulation of excess FATS in the body. The standards may vary with age, sex, genetic or cultural background. In the BODY MASS INDEX, a BMI greater than 30.0 kg/m2 is considered obese, and a BMI greater than 40.0 kg/m2 is considered morbidly obese (MORBID OBESITY).	3.48	2	0
Affective Psychosis, Bipolar [description not available]	3.17	1	0
Bipolar Disorder A major affective disorder marked by severe mood swings (manic or major depressive episodes) and a tendency to remission and recurrence.	8.17	1	0
Caries, Dental [description not available]	3.75	3	0
Dental Caries Localized destruction of the tooth surface initiated by decalcification of the enamel followed by enzymatic lysis of organic structures and leading to cavity formation. If left unchecked, the cavity may penetrate the enamel and dentin and reach the pulp.	3.75	3	0
Epithelial Ovarian Cancer [description not available]	2.58	2	0
Carcinoma, Ovarian Epithelial A malignant neoplasm that originates in cells on the surface EPITHELIUM of the ovary and is the most common form of ovarian cancer. There are five histologic subtypes: papillary serous, endometrioid, mucinous, clear cell, and transitional cell. Mutations in BRCA1, OPCML, PRKN, PIK3CA, AKT1, CTNNB1, RRAS2, and CDH1 genes are associated with this cancer.	2.58	2	0
2019 Novel Coronavirus Disease [description not available]	3.23	1	0
Dermatitis, Contact, Photoallergic [description not available]	2.31	1	0
Ache [description not available]	7.67	13	0
Pain An unpleasant sensation induced by noxious stimuli which are detected by NERVE ENDINGS of NOCICEPTIVE NEURONS.	7.67	13	0
Food Poisoning [description not available]	3.8	3	0
Allergy, Drug [description not available]	4.12	3	0
Drug Hypersensitivity Immunologically mediated adverse reactions to medicinal substances used legally or illegally.	4.12	3	0
Glial Cell Tumors [description not available]	2.15	1	0
Glioma Benign and malignant central nervous system neoplasms derived from glial cells (i.e., astrocytes, oligodendrocytes, and ependymocytes). Astrocytes may give rise to astrocytomas (ASTROCYTOMA) or glioblastoma multiforme (see GLIOBLASTOMA). Oligodendrocytes give rise to oligodendrogliomas (OLIGODENDROGLIOMA) and ependymocytes may undergo transformation to become EPENDYMOMA; CHOROID PLEXUS NEOPLASMS; or colloid cysts of the third ventricle. (From Escourolle et al., Manual of Basic Neuropathology, 2nd ed, p21)	7.15	1	0
Moniliasis, Oral [description not available]	2.17	1	0
Candidiasis, Oral Infection of the mucous membranes of the mouth by a fungus of the genus CANDIDA. (Dorland, 27th ed)	2.17	1	0
Anesthesia A state characterized by loss of feeling or sensation. This depression of nerve function is usually the result of pharmacologic action and is induced to allow performance of surgery or other painful procedures.	7.83	3	0
Eczema, Atopic [description not available]	2.17	1	0
Dermatitis, Atopic A chronic inflammatory genetically determined disease of the skin marked by increased ability to form reagin (IgE), with increased susceptibility to allergic rhinitis and asthma, and hereditary disposition to a lowered threshold for pruritus. It is manifested by lichenification, excoriation, and crusting, mainly on the flexural surfaces of the elbow and knee. In infants it is known as infantile eczema.	2.17	1	0
Degenerative Diseases, Central Nervous System [description not available]	2.17	1	0
Cerebral Ischemia [description not available]	7.86	3	0
Brain Ischemia Localized reduction of blood flow to brain tissue due to arterial obstruction or systemic hypoperfusion. This frequently occurs in conjunction with brain hypoxia (HYPOXIA, BRAIN). Prolonged ischemia is associated with BRAIN INFARCTION.	2.86	3	0
Neurodegenerative Diseases Hereditary and sporadic conditions which are characterized by progressive nervous system dysfunction. These disorders are often associated with atrophy of the affected central or peripheral nervous system structures.	2.17	1	0
Alloxan Diabetes [description not available]	2.8	3	0
Central Nervous System Disease [description not available]	2.17	1	0
Central Nervous System Diseases Diseases of any component of the brain (including the cerebral hemispheres, diencephalon, brain stem, and cerebellum) or the spinal cord.	2.17	1	0
Extravascular Hemolysis [description not available]	2.57	2	0
Hemolysis The destruction of ERYTHROCYTES by many different causal agents such as antibodies, bacteria, chemicals, temperature, and changes in tonicity.	2.57	2	0
Kidney Failure A severe irreversible decline in the ability of kidneys to remove wastes, concentrate URINE, and maintain ELECTROLYTE BALANCE; BLOOD PRESSURE; and CALCIUM metabolism.	2.17	1	0
Vascular Calcification Deposition of calcium into the blood vessel structures. Excessive calcification of the vessels are associated with ATHEROSCLEROTIC PLAQUES formation particularly after MYOCARDIAL INFARCTION (see MONCKEBERG MEDIAL CALCIFIC SCLEROSIS) and chronic kidney diseases which in turn increase VASCULAR STIFFNESS.	7.17	1	0
Uremia A clinical syndrome associated with the retention of renal waste products or uremic toxins in the blood. It is usually the result of RENAL INSUFFICIENCY. Most uremic toxins are end products of protein or nitrogen CATABOLISM, such as UREA or CREATININE. Severe uremia can lead to multiple organ dysfunctions with a constellation of symptoms.	7.17	1	0
Renal Insufficiency Conditions in which the KIDNEYS perform below the normal level in the ability to remove wastes, concentrate URINE, and maintain ELECTROLYTE BALANCE; BLOOD PRESSURE; and CALCIUM metabolism. Renal insufficiency can be classified by the degree of kidney damage (as measured by the level of PROTEINURIA) and reduction in GLOMERULAR FILTRATION RATE.	2.17	1	0
Cardiac Toxicity [description not available]	2.21	1	0
Cardiotoxicity Damage to the HEART or its function secondary to exposure to toxic substances such as drugs used in CHEMOTHERAPY; IMMUNOTHERAPY; or RADIATION.	7.21	1	0
Cancer of Colon [description not available]	2.57	2	0
Colonic Neoplasms Tumors or cancer of the COLON.	2.57	2	0
Asthma, Bronchial [description not available]	2.54	2	0
Allergic Reaction [description not available]	2.21	1	0
Airway Hyper-Responsiveness [description not available]	2.54	2	0
Asthma A form of bronchial disorder with three distinct components: airway hyper-responsiveness (RESPIRATORY HYPERSENSITIVITY), airway INFLAMMATION, and intermittent AIRWAY OBSTRUCTION. It is characterized by spasmodic contraction of airway smooth muscle, WHEEZING, and dyspnea (DYSPNEA, PAROXYSMAL).	2.54	2	0
Hypersensitivity Altered reactivity to an antigen, which can result in pathologic reactions upon subsequent exposure to that particular antigen.	2.21	1	0
Infections, Vibrio [description not available]	2.21	1	0
Complications, Pregnancy [description not available]	3.47	1	1
Bradyarrhythmia [description not available]	2.1	1	0
Blood Pressure, Low [description not available]	2.1	1	0
Bradycardia Cardiac arrhythmias that are characterized by excessively slow HEART RATE, usually below 50 beats per minute in human adults. They can be classified broadly into SINOATRIAL NODE dysfunction and ATRIOVENTRICULAR BLOCK.	2.1	1	0
Hypotension Abnormally low BLOOD PRESSURE that can result in inadequate blood flow to the brain and other vital organs. Common symptom is DIZZINESS but greater negative impacts on the body occur when there is prolonged depravation of oxygen and nutrients.	2.1	1	0
Disease Resistance The capacity of an organism to defend itself against pathological processes or the agents of those processes. This most often involves innate immunity whereby the organism responds to pathogens in a generic way. The term disease resistance is used most frequently when referring to plants.	3.2	5	0
Weight Gain Increase in BODY WEIGHT over existing weight.	3.48	1	1
Sarcoma 180 An experimental sarcoma of mice.	2.1	1	0
Entomophthoramycosis [description not available]	2.1	1	0
Zygomycosis Infection in humans and animals caused by fungi in the class Zygomycetes. It includes MUCORMYCOSIS and entomophthoramycosis. The latter is a tropical infection of subcutaneous tissue or paranasal sinuses caused by fungi in the order Entomophthorales. Phycomycosis, closely related to zygomycosis, describes infection with members of Phycomycetes, an obsolete classification.	2.1	1	0
Encephalopathy, Toxic [description not available]	3.43	2	0
Cancer of Liver [description not available]	2.1	1	0
Liver Neoplasms Tumors or cancer of the LIVER.	2.1	1	0
Infections, Pasteurella [description not available]	2.1	1	0
Experimental Lung Inflammation Inflammation of any part, segment or lobe, of the lung parenchyma.	2.51	2	0
Pneumonia Infection of the lung often accompanied by inflammation.	2.51	2	0
Allodynia [description not available]	8.31	6	0
Infections, Legionella pneumophila [description not available]	2.1	1	0
Acute Liver Injury, Drug-Induced [description not available]	2.1	1	0
Chemical and Drug Induced Liver Injury A spectrum of clinical liver diseases ranging from mild biochemical abnormalities to ACUTE LIVER FAILURE, caused by drugs, drug metabolites, herbal and dietary supplements and chemicals from the environment.	2.1	1	0
Infections, Plasmodium [description not available]	2.1	1	0
Malaria A protozoan disease caused in humans by four species of the PLASMODIUM genus: PLASMODIUM FALCIPARUM; PLASMODIUM VIVAX; PLASMODIUM OVALE; and PLASMODIUM MALARIAE; and transmitted by the bite of an infected female mosquito of the genus ANOPHELES. Malaria is endemic in parts of Asia, Africa, Central and South America, Oceania, and certain Caribbean islands. It is characterized by extreme exhaustion associated with paroxysms of high FEVER; SWEATING; shaking CHILLS; and ANEMIA. Malaria in ANIMALS is caused by other species of plasmodia.	2.1	1	0
Malignant Melanoma [description not available]	2.11	1	0
Melanoma A malignant neoplasm derived from cells that are capable of forming melanin, which may occur in the skin of any part of the body, in the eye, or, rarely, in the mucous membranes of the genitalia, anus, oral cavity, or other sites. It occurs mostly in adults and may originate de novo or from a pigmented nevus or malignant lentigo. Melanomas frequently metastasize widely, and the regional lymph nodes, liver, lungs, and brain are likely to be involved. The incidence of malignant skin melanomas is rising rapidly in all parts of the world. (Stedman, 25th ed; from Rook et al., Textbook of Dermatology, 4th ed, p2445)	7.11	1	0
Cancer of Cervix [description not available]	2.11	1	0
Leucocythaemia [description not available]	2.11	1	0
Uterine Cervical Neoplasms Tumors or cancer of the UTERINE CERVIX.	2.11	1	0
Leukemia A progressive, malignant disease of the blood-forming organs, characterized by distorted proliferation and development of leukocytes and their precursors in the blood and bone marrow. Leukemias were originally termed acute or chronic based on life expectancy but now are classified according to cellular maturity. Acute leukemias consist of predominately immature cells; chronic leukemias are composed of more mature cells. (From The Merck Manual, 2006)	7.11	1	0
Anasarca [description not available]	2.74	3	0
Edema Abnormal fluid accumulation in TISSUES or body cavities. Most cases of edema are present under the SKIN in SUBCUTANEOUS TISSUE.	2.74	3	0
Amyotrophy, Thenar, Of Carpal Origin [description not available]	3.51	1	1
Carpal Tunnel Syndrome Entrapment of the MEDIAN NERVE in the carpal tunnel, which is formed by the flexor retinaculum and the CARPAL BONES. This syndrome may be associated with repetitive occupational trauma (CUMULATIVE TRAUMA DISORDERS); wrist injuries; AMYLOID NEUROPATHIES; rheumatoid arthritis (see ARTHRITIS, RHEUMATOID); ACROMEGALY; PREGNANCY; and other conditions. Symptoms include burning pain and paresthesias involving the ventral surface of the hand and fingers which may radiate proximally. Impairment of sensation in the distribution of the median nerve and thenar muscle atrophy may occur. (Joynt, Clinical Neurology, 1995, Ch51, p45)	8.51	1	1
Epithelial Neoplasms [description not available]	2.13	1	0
Cancer of Ovary [description not available]	2.13	1	0
Ovarian Neoplasms Tumors or cancer of the OVARY. These neoplasms can be benign or malignant. They are classified according to the tissue of origin, such as the surface EPITHELIUM, the stromal endocrine cells, and the totipotent GERM CELLS.	2.13	1	0
Carcinogenesis The origin, production or development of cancer through genotypic and phenotypic changes which upset the normal balance between cell proliferation and cell death. Carcinogenesis generally requires a constellation of steps, which may occur quickly or over a period of many years.	7.13	1	0
Cancer, Radiation-Induced [description not available]	2.13	1	0
Bertielliasis [description not available]	2.13	1	0
Fish Diseases Diseases of freshwater, marine, hatchery or aquarium fish. This term includes diseases of both teleosts (true fish) and elasmobranchs (sharks, rays and skates).	2.13	1	0
Bacterial Infections, Gram-Negative [description not available]	2.13	1	0
Gram-Negative Bacterial Infections Infections caused by bacteria that show up as pink (negative) when treated by the gram-staining method.	2.13	1	0
Gastric Ulcer [description not available]	6.4	10	0
Stomach Ulcer Ulceration of the GASTRIC MUCOSA due to contact with GASTRIC JUICE. It is often associated with HELICOBACTER PYLORI infection or consumption of nonsteroidal anti-inflammatory drugs (NSAIDS).	6.4	10	0
Cancer of Prostate [description not available]	2.13	1	0
Prostatic Neoplasms Tumors or cancer of the PROSTATE.	2.13	1	0
Dehydration The condition that results from excessive loss of water from a living organism.	2.15	1	0
Aura [description not available]	2.15	1	0
Epilepsy A disorder characterized by recurrent episodes of paroxysmal brain dysfunction due to a sudden, disorderly, and excessive neuronal discharge. Epilepsy classification systems are generally based upon: (1) clinical features of the seizure episodes (e.g., motor seizure), (2) etiology (e.g., post-traumatic), (3) anatomic site of seizure origin (e.g., frontal lobe seizure), (4) tendency to spread to other structures in the brain, and (5) temporal patterns (e.g., nocturnal epilepsy). (From Adams et al., Principles of Neurology, 6th ed, p313)	2.15	1	0
Foot Dermatoses Skin diseases of the foot, general or unspecified.	2.15	1	0
Facial Dermatoses Skin diseases involving the FACE.	2.41	2	0
Eyelid Diseases Diseases involving the EYELIDS.	2.15	1	0
Dermatophytoses [description not available]	2.15	1	0
Tinea Fungal infection of keratinized tissues such as hair, skin and nails. The main causative fungi include MICROSPORUM; TRICHOPHYTON; and EPIDERMOPHYTON.	2.15	1	0
Cognition Disorders Disorders characterized by disturbances in mental processes related to learning, thinking, reasoning, and judgment.	2.15	1	0
Aphthae [description not available]	2.15	1	0
Stomatitis, Aphthous A recurrent disease of the oral mucosa of unknown etiology. It is characterized by small white ulcerative lesions, single or multiple, round or oval. Two to eight crops of lesions occur per year, lasting for 7 to 14 days and then heal without scarring. (From Jablonski's Dictionary of Dentistry, 1992, p742)	2.15	1	0
Adenocarcinoma, Basal Cell [description not available]	2.04	1	0
Adenocarcinoma A malignant epithelial tumor with a glandular organization.	7.04	1	0
Germinoblastoma [description not available]	2.05	1	0
Lymphoma A general term for various neoplastic diseases of the lymphoid tissue.	2.05	1	0
Neurogenic Inflammation Inflammation caused by an injurious stimulus of peripheral neurons and resulting in release of neuropeptides which affect vascular permeability and help initiate proinflammatory and immune reactions at the site of injury.	2.05	1	0
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	3.28	6	0
Aggression Behavior which may be manifested by destructive and attacking action which is verbal or physical, by covert attitudes of hostility or by obstructionism.	2.05	1	0
Chronic Illness [description not available]	2.05	1	0
Lesion of Sciatic Nerve [description not available]	2.47	2	0
Hyperesthesia Increased sensitivity to cutaneous stimulation due to a diminished threshold or an increased response to stimuli.	2.05	1	0
Nerve Pain [description not available]	2.05	1	0
Chronic Disease Diseases which have one or more of the following characteristics: they are permanent, leave residual disability, are caused by nonreversible pathological alteration, require special training of the patient for rehabilitation, or may be expected to require a long period of supervision, observation, or care (Dictionary of Health Services Management, 2d ed). For epidemiological studies chronic disease often includes HEART DISEASES; STROKE; CANCER; and diabetes (DIABETES MELLITUS, TYPE 2).	2.05	1	0
Neuralgia Intense or aching pain that occurs along the course or distribution of a peripheral or cranial nerve.	2.05	1	0
Insect Bites [description not available]	2.95	4	0
Insect Bites and Stings Bites and stings inflicted by insects.	2.95	4	0
Pediculosis [description not available]	2.06	1	0
Aging The gradual irreversible changes in structure and function of an organism that occur as a result of the passage of time.	2.44	2	0
Lice Infestations Parasitic attack or subsistence on the skin by members of the order Phthiraptera, especially on humans by Pediculus humanus of the family Pediculidae. The hair of the head, eyelashes, and pubis is a frequent site of infestation. (From Dorland, 28th ed; Stedman, 26th ed)	2.06	1	0
Candida Infection [description not available]	2.06	1	0
Candidiasis Infection with a fungus of the genus CANDIDA. It is usually a superficial infection of the moist areas of the body and is generally caused by CANDIDA ALBICANS. (Dorland, 27th ed)	2.06	1	0
Bacterial Skin Diseases [description not available]	3.46	1	1
Skin Diseases, Bacterial Skin diseases caused by bacteria.	3.46	1	1
Morphine Abuse [description not available]	2.07	1	0
Morphine Dependence Strong dependence, both physiological and emotional, upon morphine.	2.07	1	0
Parodontosis [description not available]	2.07	1	0
Periodontal Diseases Pathological processes involving the PERIODONTIUM including the gum (GINGIVA), the alveolar bone (ALVEOLAR PROCESS), the DENTAL CEMENTUM, and the PERIODONTAL LIGAMENT.	2.07	1	0
Acute Pain Intensely discomforting, distressful, or agonizing sensation associated with trauma or disease, with well-defined location, character, and timing.	7.07	1	0
Diabetic Glomerulosclerosis [description not available]	2.08	1	0
Diabetic Nephropathies KIDNEY injuries associated with diabetes mellitus and affecting KIDNEY GLOMERULUS; ARTERIOLES; KIDNEY TUBULES; and the interstitium. Clinical signs include persistent PROTEINURIA, from microalbuminuria progressing to ALBUMINURIA of greater than 300 mg/24 h, leading to reduced GLOMERULAR FILTRATION RATE and END-STAGE RENAL DISEASE.	2.08	1	0
Leukemia P388 An experimental lymphocytic leukemia originally induced in DBA/2 mice by painting with methylcholanthrene.	2.08	1	0
Chronic Lung Injury [description not available]	2.08	1	0
Leishmania Infection [description not available]	2.01	1	0
Leishmaniasis A disease caused by any of a number of species of protozoa in the genus LEISHMANIA. There are four major clinical types of this infection: cutaneous (Old and New World) (LEISHMANIASIS, CUTANEOUS), diffuse cutaneous (LEISHMANIASIS, DIFFUSE CUTANEOUS), mucocutaneous (LEISHMANIASIS, MUCOCUTANEOUS), and visceral (LEISHMANIASIS, VISCERAL).	2.01	1	0
Acute Disease Disease having a short and relatively severe course.	2.02	1	0
Menopause The last menstrual period. Permanent cessation of menses (MENSTRUATION) is usually defined after 6 to 12 months of AMENORRHEA in a woman over 45 years of age. In the United States, menopause generally occurs in women between 48 and 55 years of age.	2.02	1	0
Fasciola Infection [description not available]	2.03	1	0
Bilharziasis [description not available]	2.03	1	0
Fascioliasis Liver disease caused by infections with parasitic flukes of the genus FASCIOLA, such as FASCIOLA HEPATICA.	2.03	1	0
Schistosomiasis Infection with flukes (trematodes) of the genus SCHISTOSOMA. Three species produce the most frequent clinical diseases: SCHISTOSOMA HAEMATOBIUM (endemic in Africa and the Middle East), SCHISTOSOMA MANSONI (in Egypt, northern and southern Africa, some West Indies islands, northern 2/3 of South America), and SCHISTOSOMA JAPONICUM (in Japan, China, the Philippines, Celebes, Thailand, Laos). S. mansoni is often seen in Puerto Ricans living in the United States.	2.03	1	0
Contact Dermatitis [description not available]	1.96	1	0
Dermatitis, Contact A type of acute or chronic skin reaction in which sensitivity is manifested by reactivity to materials or substances coming in contact with the skin. It may involve allergic or non-allergic mechanisms.	1.96	1	0
Ear Infection [description not available]	1.99	1	0
Ovine Diseases [description not available]	2.4	2	0
Acariasis [description not available]	2.4	2	0
Caprine Diseases [description not available]	1.99	1	0
Cacosmia [description not available]	3.79	2	1
Benign Neoplasms, Brain [description not available]	2	1	0
Brain Neoplasms Neoplasms of the intracranial components of the central nervous system, including the cerebral hemispheres, basal ganglia, hypothalamus, thalamus, brain stem, and cerebellum. Brain neoplasms are subdivided into primary (originating from brain tissue) and secondary (i.e., metastatic) forms. Primary neoplasms are subdivided into benign and malignant forms. In general, brain tumors may also be classified by age of onset, histologic type, or presenting location in the brain.	2	1	0
Cat Diseases Diseases of the domestic cat (Felis catus or F. domesticus). This term does not include diseases of the so-called big cats such as CHEETAHS; LIONS; tigers, cougars, panthers, leopards, and other Felidae for which the heading CARNIVORA is used.	3.58	3	0
Experimental Mammary Neoplasms [description not available]	1.97	1	0
Ectoparasitic Infestations Infestations by PARASITES which live on, or burrow into, the surface of their host's EPIDERMIS. Most ectoparasites are ARTHROPODS.	1.97	1	0

linalool

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Occurs in Manufacturing (138 Product(s))

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linalool

Description

Related Flora

Cross-References

Synonyms (125)

Research Excerpts

Overview

Effects

Treatment

Toxicity

Pharmacokinetics

Compound-Compound Interactions

Bioavailability

Dosage Studied

Occurs in Manufacturing (138 Product(s))

Product Categories

Products

Roles (4)

Drug Classes (2)

Pathways (3)

Protein Targets (11)

Potency Measurements

Inhibition Measurements

Biological Processes (7)

Molecular Functions (7)

Ceullar Components (7)

Bioassays (83)

Research

Studies (937)

Market Indicators

Research Demand Index: 80.14

Study Types

Related Drugs (788)

Related Conditions (235)