eucalyptol profile

Eucalyptol, also known as 1,8-cineole, is a colorless, aromatic compound found in the essential oils of various plants, most notably eucalyptus. It is a monoterpene oxide with a characteristic camphoraceous odor.
Eucalyptol is synthesized naturally by plants through a complex series of enzymatic reactions.
It exhibits various pharmacological effects, including antimicrobial, anti-inflammatory, analgesic, and respiratory stimulant properties.
Eucalyptol is widely studied for its potential therapeutic applications, particularly in treating respiratory conditions like colds and bronchitis. Its antimicrobial properties have also sparked interest in its use as an antiseptic and disinfectant.
Eucalyptol is a key component of many essential oils and is used in aromatherapy, traditional medicine, and pharmaceutical formulations.'

Flora	Rank	Flora Definition	Family	Family Definition
Eucalyptus	genus	A genus of trees of the Myrtaceae family, native to Australia, that yields gums, oils, and resins which are used as flavoring agents, astringents, and aromatics.[MeSH]	Myrtaceae	The myrtle plant family of the order Myrtales. It includes several aromatic medicinal plants such as EUCALYPTUS.[MeSH]

ID Source	ID
PubMed CID	2758
CHEMBL ID	485259
CHEMBL ID	1231862
CHEMBL ID	1397305
CHEBI ID	27961
CHEBI ID	23243
SCHEMBL ID	41020
SCHEMBL ID	19622
SCHEMBL ID	13554591
SCHEMBL ID	17836873
SCHEMBL ID	23876132
MeSH ID	M0055349

Synonym
MLS001066338
smr000471853
AC-20234
BIDD:ER0481 ,
LS-13868
nci-c56575
eucapur
1,3-trimethyl-2-oxabicyclo[2.2.2]octane
p-menthane,8-epoxy-
eucalyptole
p-cineole
terpan
2-oxa-1,3-trimethylbicyclo[2.2.2]octane
nsc6171 ,
cucalyptol
1,8-oxido-p-menthane
2-oxabicyclo[2.2.2]octane,3,3-trimethyl-
cineol
cajeputol
zineol
cineole
wln: t66 a b aotj b1 b1 f1
nsc-6171
1,8-epoxy-p-menthane
DIVK1C_000333
KBIO1_000333
NCI60_005108
CHEBI:27961 ,
8000-48-4
eucalyptol [usan]
eukalyptol [czech]
eucalyptol (natural)
ai3-00578
nsc 6171
2-oxa-1,3,3-trimethylbicyclo(2.2.2)octane
fema no. 2465
p-menthane, 1,8-epoxy-
1,3,3-trimethyl-2-oxabicyclo(2.2.2)octane
ccris 3727
2-oxabicyclo(2.2.2)octane, 1,3,3-trimethyl-
cineole (van)
SPECTRUM4_001747
einecs 207-431-5
hsdb 991
NCGC00178671-01
2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane
D04115
eucalyptol (usp)
SPECTRUM5_000704
IDI1_000333
2-oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-
inchi=1/c10h18o/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8h,4-7h2,1-3h
NCGC00091666-01
C09844
1,8-cineol
1,8-cineole
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
eucalyptol ,
470-82-6
eucalyptol, natural, >=99%, fcc, fg
eucalyptol, 99%
DB03852
BSPBIO_002405
NCGC00095774-01
CNL ,
KBIO3_001625
KBIOGR_002194
NINDS_000333
SPECTRUM3_000683
SPECTRUM2_000221
SPBIO_000261
SPECTRUM1500294
4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane
soledum
gtpl2464
LMPR0102090019
MLS001050089
BMSE000523
2-oxa-1,3,3-trimethylbicyclo[2.2.2]octane
HMS501A15
CHEMBL485259
eukalyptol
eucaly
NCGC00091666-04
NCGC00091666-03
NCGC00091666-02
NCGC00091666-05
tox21_302902
dtxsid4020616 ,
NCGC00256479-01
dtxcid60616
cas-470-82-6
CHEMBL1231862
NCGC00259639-01
tox21_202090
nsc-760388
nsc760388
pharmakon1600-01500294
tox21_111161
HMS2271P04
AKOS016034339
CCG-36080
eucalyptol [usan:usp]
rv6j6604tk ,
unii-rv6j6604tk
ec 207-431-5
FT-0626369
FT-0607033
cineole [who-dd]
eucalyptol [fhfi]
eucalyptol [mi]
eucalyptol [inci]
cineole [inci]
cineole [ep monograph]
eucalyptol [vandf]
eucalyptol [ii]
eucalyptol [fcc]
eucalyptol [hsdb]
eucalyptol [usp impurity]
cineole [mart.]
eucalyptol [hpus]
eucalyptol [usp-rs]
eucalyptol [usp monograph]
AKOS015903223
SCHEMBL41020
SCHEMBL19622
tox21_111161_1
SCHEMBL13554591
1.8-cineole
W-106080
CHEMBL1397305
SCHEMBL17836873
AB01563262_01
mfcd00167977
eucalyptol, certified reference material, tracecert(r)
sr-01000763816
SR-01000763816-2
1,8-cineole, primary pharmaceutical reference standard
eucalyptol, ph helv
eucalyptol, tested according to ph.eur.
eucalyptol, analytical standard
eucalyptol, united states pharmacopeia (usp) reference standard
terpane
cyneol
eucalyptol (cineole), pharmaceutical secondary standard; certified reference material
cineole, european pharmacopoeia (ep) reference standard
1_8_cineole
A15662
eucalyptol 1000 microg/ml in methanol
F0001-1260
CS-8146
AKOS037514637
HY-N0066
eucalyptol,(s)
(1s,4s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
Q161572
CCG-266254
1,8 cineol
1,8 cineole
1,8 epoxy p menthane
eucalyptol 1000 ug/ml in methanol
bdbm50459887
SCHEMBL23876132
1,3,3-trimethyl-2-oxabicyclo(2.2.2.)octane
eucalyptol (usp monograph)
rosatra synergyfor treatment of acne rosacea
rosatra
chebi:23243
eucalyptol (ii)
eucalyptol (usp impurity)
cineole (ep monograph)
p-methane, 1,8-epoxy-
eucalyptol (usp-rs)
cineoles
1,8-oxido-p-methane
cineole (mart.)
germ free aria
eucalyptas oil

Excerpt	Reference	Relevance
"Eucalyptol is an active compound of eucalyptus essential oil and was reported to have many medical attributes including cytotoxic effect on breast cancer cells. "	( Physicochemical characterization, cytotoxic effect and toxicity evaluation of nanostructured lipid carrier loaded with eucalyptol. Abdullah, R; Alitheen, NB; Aziz, MNM; Hussin, Y; Izham, MNM; Masarudin, MJ; Mohamad, NE; Rahim, NFC; Rahman, HS; Yeap, SK, 2021)	2.27
"Eucalyptol (EU) is a monoterpenoid found as an active compound of many plants such as bay leaves, cardamom and is also found as a major constituent in eucalyptus oil. "	( Eucalyptol targets PI3K/Akt/mTOR pathway to inhibit skin cancer metastasis. Bhattacharjee, S; Chakraborty, S; Chaudhuri, A; Mandal, DP; Rahaman, A; Sarkar, A, 2022)	3.61
"Eucalyptol is a substance with rather pleasant olfactory and trigeminal characteristics and is thus suggested as an efficient tool for malodor coverage. "	( Eucalyptol Masks the Olfactory But Not the Trigeminal Sensation of Ammonia. Di Francesco, ME; Freiherr, J; Gallenmüller, F; Müschenich, FS; Rodriguez-Raecke, R; Sijben, R; Singer, M; Wiesmann, M, 2019)	3.4
"Eucalyptol (1,8-cineole) is a biologically active cyclic monoterpenoid. "	( Quantification of eucalyptol (1,8-cineole) in rat serum by gas chromatography-mass/mass spectrometry and its application to a rat pharmacokinetic study. Dong, Y; Gentana, G; Jiang, L; Liu, J; Sa, C; Wurita, A, 2021)	2.4
"Eucalyptol is a natural constituent in aromatic plants with antioxidant properties."	( Eucalyptol Inhibits Advanced Glycation End Products-Induced Disruption of Podocyte Slit Junctions by Suppressing Rage-Erk-C-Myc Signaling Pathway. Kang, MK; Kang, YH; Kim, DY; Kim, YH; Lee, EJ; Oh, H, 2018)	2.64
"Eucalyptol is a monoterpenoid oil present in many plants, principally the Eucalyptus species, and has been reported to have anti-inflammatory and antioxidative effects."	( Eucalyptol promotes lung repair in mice following cigarette smoke-induced emphysema. Barroso, MV; Brito-Gitirana, L; Cattani-Cavalieri, I; Kennedy-Feitosa, E; Romana-Souza, B; Valenca, SS, 2019)	3.4
"Eucalyptol is a compound that has demonstrated antioxidant, anti-inflammatory and bronchodilator effects, but there are no investigations about the effects of this constituent on the respiratory system mechanics in relation to acute lung injury caused by short-term cigarette smoke (CS) exposure. "	( Effects of Eucalyptol in respiratory system mechanics on acute lung injury after exposure to short-term cigarette smoke. Cavalcante, FSÁ; Gondim, FL; Serra, DS, 2019)	2.35
"Eucalyptol (1,8-cineole) is a common active agent in non-prescription pharmaceutical products that is employed to clear the airways during mucus blockages. "	( Real-time breath gas analysis for pharmacokinetics: monitoring exhaled breath by on-line proton-transfer-reaction mass spectrometry after ingestion of eucalyptol-containing capsules. Beauchamp, J; Buettner, A; Kirsch, F, 2010)	2
"Eucalyptol is an essential oil that relaxes bronchial and vascular smooth muscle although its direct actions on isolated myocardium have not been reported. "	( Eucalyptol, an essential oil, reduces contractile activity in rat cardiac muscle. Damiani, CE; Moreira, CM; Soares, MC; Stefanon, I; Vassallo, DV, 2005)	3.21

Excerpt	Reference	Relevance
"Eucalyptol (EUC) has super antioxidant biological activity."	( Eucalyptol antagonized the apoptosis and immune dysfunction of grass carp hepatocytes induced by tetrabromobisphenol A by regulating ROS/ASK1/JNK pathway. Gao, M; Liu, H; Sun, W; Xu, S; Zhu, H, 2023)	3.07

Excerpt	Reference	Relevance
"Eucalyptol treatment alleviated IMI-induced autophagy and relieved the activation of autophagy-associated signals."	( Eucalyptol relieves imidacloprid-induced autophagy through the miR-451/Cab39/AMPK axis in Ctenopharyngodon idellus kidney cells Jiang, Z; Li, X; Shen, Z; Wang, J; Xu, S; Yao, Y, 2022)	2.89
"Upon treatment with eucalyptol, BLM-induced pulmonary fibrosis and lung inflammation were significantly reduced."	( Eucalyptol prevents bleomycin-induced pulmonary fibrosis and M2 macrophage polarization. Han, X; Hu, J; Huang, L; Jiang, A; Li, M; Liu, B; Qian, F; Rui, Y, 2022)	2.48
"Treatment with eucalyptol attenuated ciliated cell damage in cigarette smoke-exposed lungs."	( Eucalyptol protects lungs against bacterial invasion through attenuating ciliated cell damage and suppressing MUC5AC expression. Dai, B; He, M; Kang, J; Su, XM; Sun, YT; Yu, N, 2019)	2.3
"Pretreatment with eucalyptol significantly reduced formalin-induced nociceptive behaviors in all mouse strains, but response was more homogenous in the Swiss strain."	( Acute and neuropathic orofacial antinociceptive effect of eucalyptol. Araújo, JR; Barbosa, TM; Campos, AR; Damasceno, MB; Lima-Júnior, RC; Melo Júnior, JM; Santos, SA; Vieira-Neto, AE; Wong, DV, 2017)	1.02

Excerpt	Reference	Relevance
" castaneum were more susceptible than larvae to both contact and fumigant toxicity of 1,8-cineole, and LD50 and LC50 values of 108."	( Toxicity, feeding deterrence, and effect of activity of 1,8-cineole from Artemisia annua on progeny production of Tribolium castanaeum (Coleoptera: Tenebrionidae). Aggarwal, KK; Kumar, S; Prajapati, V; Tripathi, AK, 2001)	0.31
"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
" Adverse events were limited to itching or stinging."	( Safety and efficacy of a non-pesticide-based head lice treatment: results of a randomised comparative trial in children. Barnes, TM; Greive, KA; Lui, AH; Oppenheim, VM, 2012)	0.38
"The non-pesticide-based shampoo is significantly more effective in eliminating head lice than malathion foam in children, while being associated with a low incidence of mild, transient adverse events."	( Safety and efficacy of a non-pesticide-based head lice treatment: results of a randomised comparative trial in children. Barnes, TM; Greive, KA; Lui, AH; Oppenheim, VM, 2012)	0.38
"In latest years, the importance of the Melaleuca alternifolia essential oil (EO) has been greatly empathised due to its anti-microbial and anti-inflammatory effects, as well as to its toxic properties towards many arthropods of great medical and veterinary importance."	( Mosquitocidal essential oils: are they safe against non-target aquatic organisms? Benelli, G; Ceccarini, L; Cioni, PL; Conti, B; Flamini, G; Macchia, M, 2014)	0.4
" After acute oral administration, the LD50 value (95% CL) was 3849 mg/kg (3488."	( Acute and subacute toxicity study of 1,8-cineole in mice. Du, YH; Fan, QJ; He, CL; Hu, ZQ; Jia, RY; Li, L; Li, M; Liang, XX; Wang, C; Wei, Q; Xu, J; Yin, LZ; Yin, ZQ; Zhou, LJ, 2014)	0.4
" 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
" Chemical treatment is the main strategy of RIFA management, which also is potentially toxic to the environment."	( Fumigant Toxicity and Repellence Activity of Camphor Essential Oil from Cinnamonum camphora Siebold Against Solenopsis invicta Workers (Hymenoptera:Formicidae). Cheng, DM; Fu, JT; Li, WS; Tang, L; Wang, K; Zhang, ZX, 2015)	0.42
" This requires more detailed investigation to better characterize the toxic effects of this compound."	( Repeated-doses and reproductive toxicity studies of the monoterpene 1,8-cineole (eucalyptol) in Wistar rats. Albuquerque, GS; Araújo, AV; Caldas, GF; Costa, JG; Costa-Silva, JH; Limeira, MM; Menezes, IR; Silva, TG; Silva-Neto, JD; Wanderley, AG, 2016)	0.66
" To uncover the effects of complex P nutrients on the emission of volatile organic compounds (VOCs) from cyanobacteria and their toxic effects on other algae, the VOCs from Microcystis flos-aquae supplied with different types and amount of P nutrients were analyzed, and the effects of VOCs and their two main compounds on Chlamydomonas reinhardtii growth were investigated."	( Effects of phosphorus sources on volatile organic compound emissions from Microcystis flos-aquae and their toxic effects on Chlamydomonas reinhardtii. Xu, Q; Yang, W; Yang, Y; Zhao, J; Zhou, L; Zuo, Z, 2018)	0.48
"This study suggests that the well-characterized NLC-Eu offers a safe and promising carrier system which has cytotoxic effect on breast cancer cell lines."	( Physicochemical characterization, cytotoxic effect and toxicity evaluation of nanostructured lipid carrier loaded with eucalyptol. Abdullah, R; Alitheen, NB; Aziz, MNM; Hussin, Y; Izham, MNM; Masarudin, MJ; Mohamad, NE; Rahim, NFC; Rahman, HS; Yeap, SK, 2021)	0.83

Excerpt	Reference	Relevance
" This study characterized the temporal transfer of eucalyptol via the blood into the airways by examining exhaled breath and thereby demonstrated the suitability of on-line breath gas analyses, particularly PTR-MS, for certain pharmacokinetic investigations."	( Real-time breath gas analysis for pharmacokinetics: monitoring exhaled breath by on-line proton-transfer-reaction mass spectrometry after ingestion of eucalyptol-containing capsules. Beauchamp, J; Buettner, A; Kirsch, F, 2010)	0.81
" This paper focuses on demonstrating the suitability of breath analysis for pharmacokinetic applications using MCC-IMS with respect to practicability and reproducibility testing the model substrate eucalyptol."	( Ion mobility spectrometry for pharmacokinetic studies--exemplary application. Ruzsanyi, V, 2013)	0.58
"The aim of this study was to develop and optimize a transdermal gel formulation of valsartan using Box-Behnken design and to evaluate it for pharmacokinetic study."	( Design, formulation and optimization of valsartan transdermal gel containing iso-eucalyptol as novel permeation enhancer: preclinical assessment of pharmacokinetics in Wistar albino rats. Ahad, A; Aqil, M; Kohli, K; Mujeeb, M; Sultana, Y, 2014)	0.63
" In vivo pharmacokinetic study of VGF-OPT-transdermal therapeutic system containing iso-eucalyptol showed a significant increase in the bioavailability (2."	( Design, formulation and optimization of valsartan transdermal gel containing iso-eucalyptol as novel permeation enhancer: preclinical assessment of pharmacokinetics in Wistar albino rats. Ahad, A; Aqil, M; Kohli, K; Mujeeb, M; Sultana, Y, 2014)	0.85
" However, the absorption characteristics in vivo and pharmacokinetic parameters of eucalyptol have not been published to date."	( Quantification of eucalyptol (1,8-cineole) in rat serum by gas chromatography-mass/mass spectrometry and its application to a rat pharmacokinetic study. Dong, Y; Gentana, G; Jiang, L; Liu, J; Sa, C; Wurita, A, 2021)	1.18
" The aims of this study were to determine the opening effect of eucalyptol on the BBB in rats, to establish and validate a method for the determination of eucalyptol in brain tissue, and to reveal its brain pharmacokinetic characteristics."	( Study on the opening effect of eucalyptol on the blood-brain barrier and its brain pharmacokinetics. Chen, Y; Dao, L; Jiang, L; Sa, C, 2023)	1.43

Excerpt	Reference	Relevance
" The aim of this study was to investigate the antimicrobial efficacy of crude eucalyptus oil (EO) and its main component 1,8-cineole (a recognized permeation enhancer), alone and in combination with CHG, against a panel of clinically relevant microorganisms grown in planktonic and biofilm cultures."	( Antimicrobial efficacy of eucalyptus oil and 1,8-cineole alone and in combination with chlorhexidine digluconate against microorganisms grown in planktonic and biofilm cultures. Conway, BR; Hendry, ER; Lambert, PA; Worthington, T, 2009)	0.35
"In conclusion, CHG may be combined with either crude EO or its major component 1,8-cineole for enhanced, synergistic antimicrobial activity against a wide range of microorganisms in planktonic and biofilm modes of growth; however, the superior antimicrobial efficacy associated with crude EO alone, compared with 1,8-cineole, favours its combination with CHG."	( Antimicrobial efficacy of eucalyptus oil and 1,8-cineole alone and in combination with chlorhexidine digluconate against microorganisms grown in planktonic and biofilm cultures. Conway, BR; Hendry, ER; Lambert, PA; Worthington, T, 2009)	0.35
" albicans isolates and to evaluate the inhibitory activity of eucalyptol on Candida biofilm, alone and in combination with antifungal agents."	( Anti-biofilm properties of eucalyptol in combination with antifungals against Candida albicans isolates in patients with hematological malignancy. Abolghasemi, S; Falahati, M; Farahyar, S; Ghasemi, R; Keymaram, M; Khalandi, H; Lotfali, E; Mahmoudi, S; Raiesi, O; Sadeghi, F; Shamsaei, S, 2022)	1.26
" Plant-based therapeutic agents including essential oils in combination with low-dose synthetic drugs have been shown to produce synergistic effects and reduce complications of synthetic drugs."	( Anti-inflammatory mechanisms of eucalyptol rich Eucalyptus globulus essential oil alone and in combination with flurbiprofen. Arooj, B; Asghar, S; Asif, M; Chohan, T; Khalid, SH; Khan, IU; Saleem, M; Yaseen, HS; Zubair, HM, 2023)	1.19

Excerpt	Reference	Relevance
" The relative bioavailability of the model substance 1,8-cineole obtained by using an applicator was 320% as compared with that obtained by using an occlusive dressing."	( [Skin absorption of volatile oils. Pharmacokinetics]. Brodbeck, R; Weyers, W, 1989)	0.28
" The results showed that 1,8-cineol is well absorbed from breathing air, with a peak plasma concentration after approximately 18 min."	( Pharmacokinetic studies of the fragrance compound 1,8-cineol in humans during inhalation. Binder, R; Buchbauer, G; Jäger, W; Nasel, B; Nasel, C; Stimpfl, T; Vycudilik, W, 1996)	0.29
"To prepare transdermal drug delivery system (TDDS) of felodipine and metoprolol and to study its pharmaceutical characteristics, pharmacokinetics and bioavailability in rabbits, an HPLC assay was established for the simultaneous determination of felodipine and metoprolol in the permeation receptor and patch."	( [Preparation of transdermal drug delivery system of felodipine-metoprolol and its bioavailability in rabbits]. Fu, GY; Liu, ZY; Wang, R; Wang, WG; Yun, LH, 2007)	0.34
" Novel analogs of I3C were designed to enhance the overall efficacy, particularly with respect to the therapeutic activity and oral bioavailability and that results in several patent applications on symptoms associated with endometriosis, vaginal neoplasia, cervical dysplasia and mastalgia."	( Chemopreventive properties of indole-3-carbinol, diindolylmethane and other constituents of cardamom against carcinogenesis. Acharya, A; Das, I; Saha, T; Singh, S, 2010)	0.36
" In vivo pharmacokinetic study of VGF-OPT-transdermal therapeutic system containing iso-eucalyptol showed a significant increase in the bioavailability (2."	( Design, formulation and optimization of valsartan transdermal gel containing iso-eucalyptol as novel permeation enhancer: preclinical assessment of pharmacokinetics in Wistar albino rats. Ahad, A; Aqil, M; Kohli, K; Mujeeb, M; Sultana, Y, 2014)	0.85
"Using ultrasonic technology, trans-cinnamaldehyde as a natural antibacterial compound was used to prepare nano size emulsions to increase its bioavailability and therefore bactericidal action."	( Ultrasonic nanoemulsification of food grade trans-cinnamaldehyde: 1,8-Cineol and investigation of the mechanism of antibacterial activity. Aliahmadi, A; Moghimi, R; Rafati, H, 2017)	0.46
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."	( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019)	0.51
"Flurbiprofen (FP) is one of the most potent nonsteroidal anti-inflammatory drugs with very low bioavailability of approximately 12% following transdermal administration, compared to that after oral administration."	( Development of galangal essential oil-based microemulsion gel for transdermal delivery of flurbiprofen: simultaneous permeability evaluation of flurbiprofen and 1,8-cineole. Chen, J; Dong, J; Dong, YF; Feng, H; Gu, W; Wu, FY; Yang, BQ; Zhu, XM, 2020)	0.56
" However, it has low solubility in aqueous solutions which limits its bioavailability and cytotoxic efficiency."	( Physicochemical characterization, cytotoxic effect and toxicity evaluation of nanostructured lipid carrier loaded with eucalyptol. Abdullah, R; Alitheen, NB; Aziz, MNM; Hussin, Y; Izham, MNM; Masarudin, MJ; Mohamad, NE; Rahim, NFC; Rahman, HS; Yeap, SK, 2021)	0.83

Excerpt	Relevance	Reference
" This has practical effects on the dosage and on the frequency of application."	( [Skin absorption of volatile oils. Pharmacokinetics]. Brodbeck, R; Weyers, W, 1989)	0.28
" In-line SPME sampling (5 min at 20 degrees C room temperature) of excurrent air from an expiratory chamber containing a possum dosed orally with 1,8-cineole (50 mg/kg) allowed real-time semi-quantitative measurements reflecting 1,8-cineole blood concentrations."	( Application of solid-phase microextraction to the quantitative analysis of 1,8-cineole in blood and expired air in a Eucalyptus herbivore, the brushtail possum (Trichosurus vulpecula). Boyle, RR; Brandon, S; Davies, NW; McLean, S; Pass, GJ, 2002)	0.31
" The dosage of the active ingredient was two 100-mg capsules of cineole three times daily."	( Therapy for acute nonpurulent rhinosinusitis with cineole: results of a double-blind, randomized, placebo-controlled trial. Dethlefsen, U; Kehrl, W; Sonnemann, U, 2004)	0.32
" We investigated the influence of 1,8-cineole on the feeding behavior of two groups of sheep, one group dosed intravenously and the other intra-ruminally."	( Feeding behavior of lambs in relation to kinetics of 1,8-cineole dosed intravenously or into the rumen. Dziba, LE; Hall, JO; Provenza, FD, 2006)	0.33
" Firstly, 1 mg mL(-1) of each drug in 20% 1,8-Cineole in ethanol was used; and secondly, 5 mg mL(-1) AT and 1 mg mL(-1) PR in 20% 1-methyl-2-pyrrolidone in ethanol was examined, dosed every 2 h over a 12-h period and receptor phase samples were analyzed by HPLC."	( Delivery of atovaquone and proguanil across sublingual membranes, in vitro. Heard, CM; Ong, CM; Wallace, E, )	0.13
" The 1,8-cineole dosage relative to humans only accelerated the mucociliary clearance in vivo without having an effect on the CBF."	( Effect of myrtol standardized and other substances on the respiratory tract: ciliary beat frequency and mucociliary clearance as parameters. Begrow, F; Böckenholt, C; Ehmen, M; Verspohl, EJ; Wittig, T, 2012)	0.38
"It was concluded that the developed transdermal gel accentuates the flux of valsartan and could be used as an antihypertensive dosage form for effective transdermal delivery of valsartan."	( Design, formulation and optimization of valsartan transdermal gel containing iso-eucalyptol as novel permeation enhancer: preclinical assessment of pharmacokinetics in Wistar albino rats. Ahad, A; Aqil, M; Kohli, K; Mujeeb, M; Sultana, Y, 2014)	0.63
" The dosage of 50 μg/disk of ESL presented fairly significant zones of inhibition against Gram-positive bacteria and fungi."	( Isolation, characterization and evaluation of antimicrobial and cytotoxic activity of estragole, obtained from the essential oil of Croton zehntneri (Euphorbiaceae). Andrade, TC; Da Silva, TG; De Lima, SG; Freitas, RM; Islam, T; Militão, GC; Rocha, MS, 2015)	0.42
" These results partly explain the advantages of using whole essential oils over isolated ingredients, and therefore support the application of traditional dosage forms for bacterial infections in ethnomedicine."	( Short communication: Antibacterial effects of essential oils from Cinnamomum cassia bark and Eucalyptus globulus leaves-The involvements of major constituents. Hoang, HT; Miyamoto, A; Nguyen, HT; Nguyen, HTT; Pham, HT; Tong, NTM; Truong, LTN, 2023)	0.91

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Other	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Céréales et pommes de terre, Matières grasses, Céréales et dérivés, Matières grasses végétales, Huiles, Huiles de céréales, Huiles de lin	1
Snacks, Viandes et dérivés, Snacks salés, Snacks sucrés, Amuse-gueules, Charcuteries, Biscuits et gâteaux, Biscuits, Saucissons, Biscuits apéritifs, Sablés pur beurre	1
Snacks, Sweet snacks, Confectioneries	1
Plant-based foods and beverages, Plant-based foods, Cereals and potatoes, Fruits and vegetables based foods, Vegetables based foods, Potatoes	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Légumineuses et dérivés, Légumineuses, Fruits à coques et dérivés, Fruits à coques, Fruits à coque grillés, Cacahuètes, Cacahuètes grillées	1
Vitamins & Supplements	1
Pet Supplies	2
Beauty & Personal Care	1
Household Essentials	1

Product	Brand	Category	Compounds Matched from Ingredients	Date Retrieved
Hannaford, holiday spice drops gummies	Hannaford, Hannaford Bros. Co.	Snacks, Sweet snacks, Confectioneries	titanium dioxide	2024-02-09
Afrin Nasal Spray 12 Hour Relief Severe Congestion -- 0.5 fl oz	Afrin	Vitamins & Supplements	benzyl alcohol, camphor, eucalyptol, menthol, propylene glycol	2024-11-29 10:47:42
Alzoo Stain & Odor Remover Liquid Concentrate & Refillable Bottle Natural Fresh Scent -- 1.1 oz	Alzoo	Pet Supplies	eucalyptol	2024-11-29 10:47:42
Alzoo Stain & Odor Remover Liquid Concentrate Makes 32 Oz Natural Fresh Scent -- 1.1 fl oz	Alzoo	Pet Supplies	eucalyptol	2024-11-29 10:47:42
Derma E Anti-Wrinkle Treatment Oil Rosehip & Grape Seed Oils Vitamins A & E -- 2 fl oz	Derma E	Beauty & Personal Care	alpha pinene, bakuchiol, camphor, beta-caryophyllene, citral, eucalyptol, geranyl acetate, retinol	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

Pathway	Proteins	Compounds
Monoterpenoid Biosynthesis	6	18
monoterpene biosynthesis	19	13
1,8-cineole degradation	0	12
Myrcene biosynthesis	0	13

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE	Homo sapiens (human)	Potency	0.8913	0.0032	45.4673	12,589.2998	AID2517
Chain A, ATP-DEPENDENT DNA HELICASE Q1	Homo sapiens (human)	Potency	39.8107	0.1259	19.1169	125.8920	AID2549
RAR-related orphan receptor gamma	Mus musculus (house mouse)	Potency	0.1933	0.0060	38.0041	19,952.5996	AID1159521
TDP1 protein	Homo sapiens (human)	Potency	2.6609	0.0008	11.3822	44.6684	AID686979
Microtubule-associated protein tau	Homo sapiens (human)	Potency	4.4668	0.1800	13.5574	39.8107	AID1460
AR protein	Homo sapiens (human)	Potency	19.9526	0.0002	21.2231	8,912.5098	AID588516
thyroid stimulating hormone receptor	Homo sapiens (human)	Potency	15.8489	0.0013	18.0743	39.8107	AID926; AID938
glucocorticoid receptor [Homo sapiens]	Homo sapiens (human)	Potency	2.3914	0.0002	14.3764	60.0339	AID720691
estrogen-related nuclear receptor alpha	Homo sapiens (human)	Potency	6.0323	0.0015	30.6073	15,848.9004	AID1224848; AID1224849
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	31.9996	0.0002	29.3054	16,493.5996	AID743069
peroxisome proliferator-activated receptor delta	Homo sapiens (human)	Potency	21.5890	0.0010	24.5048	61.6448	AID743215
aryl hydrocarbon receptor	Homo sapiens (human)	Potency	55.0572	0.0007	23.0674	1,258.9301	AID743085; AID743122
activating transcription factor 6	Homo sapiens (human)	Potency	60.8462	0.1434	27.6121	59.8106	AID1159516
v-jun sarcoma virus 17 oncogene homolog (avian)	Homo sapiens (human)	Potency	0.6085	0.0578	21.1097	61.2679	AID1159526
chromobox protein homolog 1	Homo sapiens (human)	Potency	89.1251	0.0060	26.1688	89.1251	AID540317
thyroid hormone receptor beta isoform 2	Rattus norvegicus (Norway rat)	Potency	30.2333	0.0003	23.4451	159.6830	AID743066
mitogen-activated protein kinase 1	Homo sapiens (human)	Potency	0.0316	0.0398	16.7842	39.8107	AID995
geminin	Homo sapiens (human)	Potency	5.8048	0.0046	11.3741	33.4983	AID624296
lamin isoform A-delta10	Homo sapiens (human)	Potency	35.4813	0.8913	12.0676	28.1838	AID1487
Spike glycoprotein	Severe acute respiratory syndrome-related coronavirus	Potency	39.8107	0.0096	10.5250	35.4813	AID1479145
[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)	257.0400	0.0001	1.0789	9.0000	AID1387996
Ubiquitin carboxyl-terminal hydrolase isozyme L3	Mus musculus (house mouse)	IC50 (µMol)	18.0000	0.9400	0.9400	0.9400	AID1799485
Ubiquitin carboxyl-terminal hydrolase isozyme L1	Mus musculus (house mouse)	IC50 (µMol)	18.0000	0.9400	0.9400	0.9400	AID1799485
[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)
streptokinase A precursor	Streptococcus pyogenes M1 GAS	EC50 (µMol)	150.0000	0.0600	8.9128	130.5170	AID1902; AID1914
Estrogen receptor	Rattus norvegicus (Norway rat)	EC50 (µMol)	150.0000	0.0060	22.3670	130.5170	AID1914
Estrogen receptor beta	Rattus norvegicus (Norway rat)	EC50 (µMol)	150.0000	0.0060	22.3670	130.5170	AID1914
[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)
Transient receptor potential cation channel subfamily M member 8	Homo sapiens (human)	Activity	100.0000	0.0990	5.0495	10.0000	AID500218
[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)
intracellular calcium ion homeostasis	Transient receptor potential cation channel subfamily M member 8	Homo sapiens (human)
response to cold	Transient receptor potential cation channel subfamily M member 8	Homo sapiens (human)
calcium-mediated signaling	Transient receptor potential cation channel subfamily M member 8	Homo sapiens (human)
thermoception	Transient receptor potential cation channel subfamily M member 8	Homo sapiens (human)
calcium ion transmembrane transport	Transient receptor potential cation channel subfamily M member 8	Homo sapiens (human)
positive regulation of cold-induced thermogenesis	Transient receptor potential cation channel subfamily M member 8	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)
calcium channel activity	Transient receptor potential cation channel subfamily M member 8	Homo sapiens (human)
protein binding	Transient receptor potential cation channel subfamily M member 8	Homo sapiens (human)
identical protein binding	Transient receptor potential cation channel subfamily M member 8	Homo sapiens (human)
ligand-gated calcium channel activity	Transient receptor potential cation channel subfamily M member 8	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)
virion membrane	Spike glycoprotein	Severe acute respiratory syndrome-related coronavirus
endoplasmic reticulum membrane	Transient receptor potential cation channel subfamily M member 8	Homo sapiens (human)
plasma membrane	Transient receptor potential cation channel subfamily M member 8	Homo sapiens (human)
external side of plasma membrane	Transient receptor potential cation channel subfamily M member 8	Homo sapiens (human)
membrane raft	Transient receptor potential cation channel subfamily M member 8	Homo sapiens (human)
plasma membrane	Transient receptor potential cation channel subfamily M member 8	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
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.
AID1102303	Fungicidal activity against Rhizoctonia solani infected in third leaf stage of rice plant at 1000 mg/l applied as spray after 5 days under green house conditions relative to control	2003	Journal of agricultural and food chemistry, Mar-12, Volume: 51, Issue:6	Fungicidal property of Curcuma longa L. rhizome-derived curcumin against phytopathogenic fungi in a greenhouse.
AID727630	Induction of cholesterol efflux genes in mouse RAW264.7 cells assessed as increase in LXRbeta mRNA expression measured by qPCR	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
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.
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.
AID1090217	Antifungal activity against Aspergillus flavus assessed as inhibition of mycelial growth in dextrose sabouraud broth and Czapek agar at 0.2 mg/ml at 28 +/- 1 degC for 72 hr by dilution technique	2005	Journal of agricultural and food chemistry, Jun-01, Volume: 53, Issue:11	Chemical composition and antifungal activity of essential oil of Chrysactinia mexicana gray.
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.
AID1102308	Fungicidal activity against Magnaporthe grisea infected second leaf stage of rice plant at 500 mg/l applied as spray after 5 days under green house conditions relative to control	2003	Journal of agricultural and food chemistry, Mar-12, Volume: 51, Issue:6	Fungicidal property of Curcuma longa L. rhizome-derived curcumin against phytopathogenic fungi in a greenhouse.
AID727635	Agonist activity at LXRalpha (unknown origin) transfected in human CHO-K1 cells assessed as induction of transactivation at 100 microM by luciferase reporter gene transactivation assay relative to control	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
AID1102298	Fungicidal activity against Botryotinia fuckeliana infected first-leaf stage of cucumber plant at 500 mg/l applied as spray after 4 to 5 days under green house conditions relative to control	2003	Journal of agricultural and food chemistry, Mar-12, Volume: 51, Issue:6	Fungicidal property of Curcuma longa L. rhizome-derived curcumin against phytopathogenic fungi in a greenhouse.
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.
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.
AID727634	Induction of cholesterol efflux in mouse RAW264.7 cells assessed as reduction in cellular cholesterol level at 100 microM relative to control	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
AID1090507	Antifungal activity against Colletotrichum gloeosporioides assessed as growth inhibition at 4 uL in 2 mM acetone by direct bioautography	2006	Journal of agricultural and food chemistry, Sep-06, Volume: 54, Issue:18	Chemical composition and antifungal activity of Salvia macrochlamys and Salvia recognita essential oils.
AID1102284	Fungicidal activity against Blumeria graminis infected first-leaf stage of barley plant at 1000 mg/l applied as spray under green house conditions relative to control	2003	Journal of agricultural and food chemistry, Mar-12, Volume: 51, Issue:6	Fungicidal property of Curcuma longa L. rhizome-derived curcumin against phytopathogenic fungi in a greenhouse.
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.
AID727613	Downregulation of FAS protein expression in human HepG2 cells at 50 to 100 microM by immunoblotting	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
AID1102391	Larvicidal activity against third larval stage of Aedes aegypti assessed as mortality at 50 mg/L after 24 hr	2003	Journal of agricultural and food chemistry, Jun-18, Volume: 51, Issue:13	Insecticidal activity and chemical composition of volatile oils from Hyptis martiusii Benth.
AID727624	Induction of cholesterol efflux genes in mouse RAW264.7 cells assessed as increase in LXRbeta protein expression measured at 100 microM by immunoblotting	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
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.
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.
AID1070522	Antimicrobial activity against Mycobacterium tuberculosis H37Rv assessed as growth inhibition by gaseous contact assay relative to control	2014	Journal of natural products, Mar-28, Volume: 77, Issue:3	Airborne antituberculosis activity of Eucalyptus citriodora essential oil.
AID1102294	Fungicidal activity against Phytophthora infestans infected second leaf-stage of tomato plant at 1000 mg/l applied as spray after 4 days under green house conditions relative to control	2003	Journal of agricultural and food chemistry, Mar-12, Volume: 51, Issue:6	Fungicidal property of Curcuma longa L. rhizome-derived curcumin against phytopathogenic fungi in a greenhouse.
AID727623	Induction of LXR-responsive genes in mouse RAW264.7 cells assessed as increase in ABCA1 protein expression measured at 100 microM by immunoblotting	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
AID727617	Downregulation of FAS mRNA expression in human HepG2 cells at 50 to 100 microM by qPCR	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
AID727625	Induction of cholesterol efflux genes in mouse RAW264.7 cells assessed as increase in LXRalpha protein expression measured at 100 microM by immunoblotting	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
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.
AID727609	Induction of recruitment of D20 peptide to LXRbeta (unknown origin) by TR-FRET LXR-alpha co-activator assay	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
AID727629	Induction of cholesterol efflux genes in mouse RAW264.7 cells assessed as increase in LXRbeta mRNA expression measured at 100 microM by qPCR	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
AID1102283	Fungicidal activity against Blumeria graminis infected first-leaf stage of barley plant at 500 mg/l applied as spray under green house conditions relative to control	2003	Journal of agricultural and food chemistry, Mar-12, Volume: 51, Issue:6	Fungicidal property of Curcuma longa L. rhizome-derived curcumin against phytopathogenic fungi in a greenhouse.
AID727632	Induction of cholesterol efflux in mouse RAW264.7 cells assessed as reduction in cellular cholesterol level at 100 microM in presence of higher cholesterol relative to control	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
AID1102393	Larvicidal activity against third larval stage of Aedes aegypti assessed as mortality at 100 mg/L after 24 hr	2003	Journal of agricultural and food chemistry, Jun-18, Volume: 51, Issue:13	Insecticidal activity and chemical composition of volatile oils from Hyptis martiusii Benth.
AID727638	Agonist activity at LXRalpha (unknown origin) transfected in human CHO-K1 cells assessed as induction of transactivation at 50 to 200 microM by luciferase reporter gene transactivation assay relative to control	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
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.
AID1090216	Antifungal activity against Aspergillus flavus assessed as inhibition of mycelial growth in dextrose sabouraud broth and Czapek agar at 0.3 mg/ml at 28 +/- 1 degC for 72 hr by dilution technique	2005	Journal of agricultural and food chemistry, Jun-01, Volume: 53, Issue:11	Chemical composition and antifungal activity of essential oil of Chrysactinia mexicana gray.
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.
AID1102392	Larvicidal activity against third larval stage of Aedes aegypti assessed as mortality at 250 mg/L after 24 hr	2003	Journal of agricultural and food chemistry, Jun-18, Volume: 51, Issue:13	Insecticidal activity and chemical composition of volatile oils from Hyptis martiusii Benth.
AID1102394	Larvicidal activity against third larval stage of Aedes aegypti assessed as mortality at 500 mg/L after 24 hr	2003	Journal of agricultural and food chemistry, Jun-18, Volume: 51, Issue:13	Insecticidal activity and chemical composition of volatile oils from Hyptis martiusii Benth.
AID727621	Reduction in lipid accumulation in human HepG2 cells at 100 microM by Oil Red O staining	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
AID500218	Agonist activity at TRPM8	2005	Nature chemical biology, Jul, Volume: 1, Issue:2	Sensing with TRP channels.
AID727614	Downregulation of SREBP-1c protein expression in human HepG2 cells at 50 to 100 microM by immunoblotting	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
AID727610	Induction of recruitment of Trap220 peptide to LXRalpha (unknown origin) by TR-FRET LXR-alpha co-activator assay	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
AID1102299	Fungicidal activity against Botryotinia fuckeliana infected first-leaf stage of cucumber plant at 1000 mg/l applied as spray after 4 to 5 days under green house conditions relative to control	2003	Journal of agricultural and food chemistry, Mar-12, Volume: 51, Issue:6	Fungicidal property of Curcuma longa L. rhizome-derived curcumin against phytopathogenic fungi in a greenhouse.
AID1102288	Fungicidal activity against Puccinia recondita infected first leaf stage of wheat plant at 500 mg/l applied as spray after 10 days under green house conditions relative to control	2003	Journal of agricultural and food chemistry, Mar-12, Volume: 51, Issue:6	Fungicidal property of Curcuma longa L. rhizome-derived curcumin against phytopathogenic fungi in a greenhouse.
AID727619	Downregulation of SREBP-1c mRNA expression in human HepG2 cells at 50 to 100 microM by qPCR	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
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.
AID727622	Reduction in lipid accumulation in human HepG2 cells at 50 microM by Oil Red O staining	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
AID727618	Downregulation of LXRalpha mRNA expression in human HepG2 cells at 50 to 100 microM by qPCR	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
AID727616	Downregulation of SCD-1 mRNA expression in human HepG2 cells at 50 to 100 microM by qPCR	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
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.
AID1090219	Antifungal activity against Aspergillus flavus assessed as inhibition of mycelial growth in dextrose sabouraud broth and Czapek agar at 0.1 mg/ml at 28 +/- 1 degC for 72 hr by dilution technique	2005	Journal of agricultural and food chemistry, Jun-01, Volume: 53, Issue:11	Chemical composition and antifungal activity of essential oil of Chrysactinia mexicana gray.
AID1090509	Antifungal activity against Colletotrichum acutatum assessed as growth inhibition at 4 uL in 2 mM acetone by direct bioautography	2006	Journal of agricultural and food chemistry, Sep-06, Volume: 54, Issue:18	Chemical composition and antifungal activity of Salvia macrochlamys and Salvia recognita essential oils.
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.
AID727627	Induction of LXR-responsive genes in mouse RAW264.7 cells assessed as increase in Abca1 mRNA expression measured at 50 to 100 microM by qPCR	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
AID727628	Induction of cholesterol efflux genes in mouse RAW264.7 cells assessed as increase in LXRbeta mRNA expression measured at 50 microM by qPCR	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
AID336478	Inhibition of COX2 at 100 uM by scintillation proximity assay	2002	Journal of natural products, Nov, Volume: 65, Issue:11	Screening of ubiquitous plant constituents for COX-2 inhibition with a scintillation proximity based assay.
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.
AID1102396	Insecticidal activity against adult Bemisia argentifolii reared on compound-treated melon leaves assessed as mortality at 1000 mg/L applied as spray after 72 hr	2003	Journal of agricultural and food chemistry, Jun-18, Volume: 51, Issue:13	Insecticidal activity and chemical composition of volatile oils from Hyptis martiusii Benth.
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.
AID1090215	Antifungal activity against Aspergillus flavus assessed as inhibition of mycelial growth in dextrose sabouraud broth and Czapek agar at 0.4 mg/ml at 28 +/- 1 degC for 72 hr by dilution technique	2005	Journal of agricultural and food chemistry, Jun-01, Volume: 53, Issue:11	Chemical composition and antifungal activity of essential oil of Chrysactinia mexicana gray.
AID727615	Downregulation of LXRalpha protein expression in human HepG2 cells at 50 to 100 microM by immunoblotting	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
AID727633	Agonist activity at LXRalpha (unknown origin) transfected in human CHO-K1 cells assessed as induction of transactivation at 200 microM by luciferase reporter gene transactivation assay relative to control	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
AID727637	Agonist activity at LXRalpha (unknown origin) transfected in human CHO-K1 cells assessed as induction of transactivation by luciferase reporter gene transactivation assay relative to control	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
AID1102309	Fungicidal activity against Magnaporthe grisea infected second leaf stage of rice plant at 1000 mg/l applied as spray after 5 days under green house conditions relative to control	2003	Journal of agricultural and food chemistry, Mar-12, Volume: 51, Issue:6	Fungicidal property of Curcuma longa L. rhizome-derived curcumin against phytopathogenic fungi in a greenhouse.
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.
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.
AID727631	Induction of cholesterol efflux genes in mouse RAW264.7 cells assessed as increase in LXRalpha mRNA expression measured at 50 to 100 microM by qPCR	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
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.
AID1090214	Antifungal activity against Aspergillus flavus assessed as inhibition of mycelial growth in dextrose sabouraud broth and Czapek agar at 0.5 mg/ml at 28 +/- 1 degC for 72 hr by dilution technique	2005	Journal of agricultural and food chemistry, Jun-01, Volume: 53, Issue:11	Chemical composition and antifungal activity of essential oil of Chrysactinia mexicana gray.
AID727636	Agonist activity at LXRalpha (unknown origin) transfected in human CHO-K1 cells assessed as induction of transactivation at 50 microM by luciferase reporter gene transactivation assay relative to control	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
AID1102395	Insecticidal activity against adult Bemisia argentifolii reared on compound-treated melon leaves assessed as layed eggs at 1000 mg/L applied as spray after 72 hr	2003	Journal of agricultural and food chemistry, Jun-18, Volume: 51, Issue:13	Insecticidal activity and chemical composition of volatile oils from Hyptis martiusii Benth.
AID1102289	Fungicidal activity against Puccinia recondita infected first leaf stage of wheat plant at 1000 mg/l applied as spray after 10 days under green house conditions relative to control	2003	Journal of agricultural and food chemistry, Mar-12, Volume: 51, Issue:6	Fungicidal property of Curcuma longa L. rhizome-derived curcumin against phytopathogenic fungi in a greenhouse.
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.
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.
AID727626	Induction of LXR-responsive genes in mouse RAW264.7 cells assessed as increase in Abca2 mRNA expression measured at 50 to 100 microM by qPCR	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.
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.
AID1102293	Fungicidal activity against Phytophthora infestans infected second leaf-stage of tomato plant at 500 mg/l applied as spray after 4 days under green house conditions relative to control	2003	Journal of agricultural and food chemistry, Mar-12, Volume: 51, Issue:6	Fungicidal property of Curcuma longa L. rhizome-derived curcumin against phytopathogenic fungi in a greenhouse.
AID1090508	Antifungal activity against Colletotrichum fragariae assessed as growth inhibition at 4 uL in 2 mM acetone by direct bioautography	2006	Journal of agricultural and food chemistry, Sep-06, Volume: 54, Issue:18	Chemical composition and antifungal activity of Salvia macrochlamys and Salvia recognita essential oils.
AID1090213	Antifungal activity against Aspergillus flavus assessed as inhibition of mycelial growth in dextrose sabouraud broth and Czapek agar at 0.6 mg/ml at 28 +/- 1 degC for 72 hr by dilution technique	2005	Journal of agricultural and food chemistry, Jun-01, Volume: 53, Issue:11	Chemical composition and antifungal activity of essential oil of Chrysactinia mexicana gray.
AID1102390	Larvicidal activity against third larval stage of Aedes aegypti assessed as mortality at 25 mg/L after 24 hr	2003	Journal of agricultural and food chemistry, Jun-18, Volume: 51, Issue:13	Insecticidal activity and chemical composition of volatile oils from Hyptis martiusii Benth.
AID1102304	Fungicidal activity against Rhizoctonia solani infected in third leaf stage of rice plant at 500 mg/l applied as spray after 5 days under green house conditions relative to control	2003	Journal of agricultural and food chemistry, Mar-12, Volume: 51, Issue:6	Fungicidal property of Curcuma longa L. rhizome-derived curcumin against phytopathogenic fungi in a greenhouse.
AID1347105	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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.
AID1347096	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1347092	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347095	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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.
AID1347407	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347425	Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347103	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347089	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347424	RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347102	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347098	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347106	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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.
AID1347093	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347091	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1745845	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.
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.
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.
AID504749	qHTS profiling for inhibitors of Plasmodium falciparum proliferation	2011	Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043	Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
AID1224817	Assays to identify small molecules inhibitory for eIF4E expression	2015	Chemistry & biology, Jul-23, Volume: 22, Issue:7	Internal Ribosome Entry Site-Based Bicistronic In Situ Reporter Assays for Discovery of Transcription-Targeted Lead Compounds.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1081619	Pre-emergence herbicidal activity against Raphanus sativus var.Long scarlet (radish) seeds assessed as seed germination at 0.1 mol/l at 25 degC after 72 hr by filter paper bioassay relative to control	2010	Journal of agricultural and food chemistry, Sep-22, Volume: 58, Issue:18	Herbicidal activity of cineole derivatives.
AID1081621	Pre-emergence herbicidal activity against Raphanus sativus var.Long scarlet (radish) seeds assessed as root length at 0.1 mol/l at 25 degC after 72 hr by filter paper bioassay relative to control	2010	Journal of agricultural and food chemistry, Sep-22, Volume: 58, Issue:18	Herbicidal activity of cineole derivatives.
AID1081628	Pre-emergence herbicidal activity against Raphanus sativus var.Long scarlet (radish) seeds assessed as concentration required to suppress seed germination at 25 degC after 72 hr by filter paper bioassay	2010	Journal of agricultural and food chemistry, Sep-22, Volume: 58, Issue:18	Herbicidal activity of cineole derivatives.
AID1081626	Pre-emergence herbicidal activity against Lolium rigidum seeds assessed as concentration required to suppress shoot growth at 25 degC after 72 hr by filter paper bioassay	2010	Journal of agricultural and food chemistry, Sep-22, Volume: 58, Issue:18	Herbicidal activity of cineole derivatives.
AID1081629	Pre-emergence herbicidal activity against Raphanus sativus var.Long scarlet (radish) seeds assessed as concentration required to suppress root growth at 25 degC after 72 hr by filter paper bioassay	2010	Journal of agricultural and food chemistry, Sep-22, Volume: 58, Issue:18	Herbicidal activity of cineole derivatives.
AID1081630	Pre-emergence herbicidal activity against Raphanus sativus var.Long scarlet (radish) seeds assessed as concentration required to suppress shoot growth at 25 degC after 72 hr by filter paper bioassay	2010	Journal of agricultural and food chemistry, Sep-22, Volume: 58, Issue:18	Herbicidal activity of cineole derivatives.
AID1081613	Pre-emergence herbicidal activity against Lolium rigidum seeds assessed as shoot length at 0.1 mol/l at 25 degC after 72 hr by filter paper bioassay relative to control	2010	Journal of agricultural and food chemistry, Sep-22, Volume: 58, Issue:18	Herbicidal activity of cineole derivatives.
AID1081615	Pre-emergence herbicidal activity against Lolium rigidum seeds assessed as root length at 0.1 mol/l at 25 degC after 72 hr by filter paper bioassay relative to control	2010	Journal of agricultural and food chemistry, Sep-22, Volume: 58, Issue:18	Herbicidal activity of cineole derivatives.
AID1081620	Pre-emergence herbicidal activity against Raphanus sativus var.Long scarlet (radish) seeds assessed as shoot length at 0.1 mol/l at 25 degC after 72 hr by filter paper bioassay relative to control	2010	Journal of agricultural and food chemistry, Sep-22, Volume: 58, Issue:18	Herbicidal activity of cineole derivatives.
AID1081627	Pre-emergence herbicidal activity against Lolium rigidum seeds assessed as concentration required to suppress root growth at 25 degC after 72 hr by filter paper bioassay	2010	Journal of agricultural and food chemistry, Sep-22, Volume: 58, Issue:18	Herbicidal activity of cineole derivatives.
AID1081614	Pre-emergence herbicidal activity against Lolium rigidum seeds assessed as seed germination at 0.1 mol/l at 25 degC after 72 hr by filter paper bioassay relative to control	2010	Journal of agricultural and food chemistry, Sep-22, Volume: 58, Issue:18	Herbicidal activity of cineole derivatives.
AID1081624	Pre-emergence herbicidal activity against Lolium rigidum seeds assessed as concentration required to suppress seed germination at 25 degC after 72 hr by filter paper bioassay	2010	Journal of agricultural and food chemistry, Sep-22, Volume: 58, Issue:18	Herbicidal activity of cineole derivatives.
AID1799485	Inhibition Activity Assay from Article 10.1016/j.chembiol.2003.08.010: \\Discovery of inhibitors that elucidate the role of UCH-L1 activity in the H1299 lung cancer cell line.\\	2003	Chemistry & biology, Sep, Volume: 10, Issue:9	Discovery of inhibitors that elucidate the role of UCH-L1 activity in the H1299 lung cancer cell line.
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	24 (2.85)	18.7374
1990's	59 (7.00)	18.2507
2000's	202 (23.96)	29.6817
2010's	375 (44.48)	24.3611
2020's	183 (21.71)	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	25 (2.90%)	5.53%
Reviews	17 (1.97%)	6.00%
Case Studies	5 (0.58%)	4.05%
Observational	0 (0.00%)	0.25%
Other	816 (94.55%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Clinical Trials (3)

Trial Overview

Trial	Phase	Enrollment	Study Type	Start Date	Status
Comparative Efficacy of the Suppository Composed by Guaiacol, Eucalyptol, Menthol and Camphor Versus Guaiacol Suppository Versus Guaifenesin Syrup in Pediatric Patients With Cough Due the Infectious Origin [NCT01119534]	Phase 3	270 participants (Anticipated)	Interventional	2011-05-31	Not yet recruiting
A Retrospective, Real-world Study of Eucalyptol, Limonene and Pinene Enteric Soft Capsules Used in the Expectorant Treatment of Community-acquired Pneumonia [NCT05002192]		10,000 participants (Anticipated)	Observational	2020-09-01	Recruiting
Impact of Combined Non-surgical and Surgical Periodontal Treatment in Patients With Type 2 Diabetes Mellitus [NCT02874963]		160 participants (Anticipated)	Interventional	2015-11-30	Recruiting
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
2-(3-pyridine)acetic acid 3-pyridylacetic acid : A monocarboxylic acid that is acetic acid substituted by a (pyridin-3-yl) group. It is a metabolite of nicotine and other tobacco alkaloids.	2.11	1	0	monocarboxylic acid; pyridines	human xenobiotic metabolite
4-hydroxybenzoic acid 4-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring.	2.02	1	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.	3.55	8	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
acetone methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).	2.69	3	0	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
ammonium hydroxide azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2.	2.89	3	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]	2.91	4	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]	2.58	2	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.	2.97	4	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.	1.99	1	0	benzyl alcohols	antioxidant; fragrance; metabolite; solvent
betaine glycine betaine : The amino acid betaine derived from glycine.	3.94	2	1	amino-acid betaine; glycine derivative	fundamental metabolite
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.	2.53	2	0	fatty acid 4:0; straight-chain saturated fatty acid	human urinary metabolite; Mycoplasma genitalium metabolite
ureidosuccinic acid ureidosuccinic acid: RN given refers to (DL)-isomer. N-carbamoylaspartic acid : An N-carbamoylamino acid that is aspartic acid with one of its amino hydrogens replaced by a carbamoyl group.	2.11	1	0	aspartic acid derivative; C4-dicarboxylic acid; N-carbamoyl-amino acid	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
carbon monoxide Carbon Monoxide: Carbon monoxide (CO). A poisonous colorless, odorless, tasteless gas. It combines with hemoglobin to form carboxyhemoglobin, which has no oxygen carrying capacity. The resultant oxygen deprivation causes headache, dizziness, decreased pulse and respiratory rates, unconsciousness, and death. (From Merck Index, 11th ed). carbon monoxide : A one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas.	2.39	2	0	carbon oxide; gas molecular entity; one-carbon compound	biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent
choline [no description available]	2.4	2	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae 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.	1.98	1	0	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
chlorine chloride : A halide anion formed when chlorine picks up an electron to form an an anion.	2.06	1	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
arabinofuranosylcytosine triphosphate [no description available]	2.11	1	0	pyrimidine ribonucleoside monophosphate
coumarin 2H-chromen-2-one: coumarin derivative	2.73	3	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.	1.99	1	0	benzaldehydes	insecticide; plant metabolite; volatile oil component
aminoethylphosphonic acid Aminoethylphosphonic Acid: An organophosphorus compound isolated from human and animal tissues.. (2-aminoethyl)phosphonic acid : A phosphonic acid in which the hydrogen attached to the phosphorus of phosphonic acid is substituted by a 2-aminoethyl group.	2.11	1	0	phosphonic acids; primary amino compound; zwitterion	human metabolite; metabolite; mouse metabolite
phloroglucinol Phloroglucinol: A trinitrobenzene derivative with antispasmodic properties that is used primarily as a laboratory reagent.. phloroglucinol : A benzenetriol with hydroxy groups at position 1, 3 and 5.	2.06	1	0	benzenetriol; phenolic donor	algal metabolite
gallic acid gallate : A trihydroxybenzoate that is the conjugate base of gallic acid.	4.27	5	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.	2.01	1	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.	2.13	1	0	gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride	Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent
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).	2.52	2	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.	2.11	1	0	guaiacols	disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite
gamma-guanidinobutyric acid gamma-guanidinobutyric acid: RN given refers to parent cpd. 4-guanidinobutyric acid : A monocarboxylic acid that is butanoic acid substituted by a guanidino group at position 4.. 4-guanidinobutanoate : A monocarboxylic acid anion that is the conjugate base of 4-guanidinobutanoic acid.. 4-guanidinobutanoic acid : The 4-guanidino derivative of butanoic acid.	2.11	1	0	guanidines; monocarboxylic acid; zwitterion	fungal metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
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.	2.17	1	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
dimethyl sulfoxide Dimethyl Sulfoxide: A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation.. dimethyl sulfoxide : A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents.	1.99	1	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
histamine [no description available]	3.4	1	1	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
hydrogen Hydrogen: The first chemical element in the periodic table with atomic symbol H, and atomic number 1. Protium (atomic weight 1) is by far the most common hydrogen isotope. Hydrogen also exists as the stable isotope DEUTERIUM (atomic weight 2) and the radioactive isotope TRITIUM (atomic weight 3). Hydrogen forms into a diatomic molecule at room temperature and appears as a highly flammable colorless and odorless gas.. dihydrogen : An elemental molecule consisting of two hydrogens joined by a single bond.	2.48	2	0	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
hydroquinone [no description available]	2.01	1	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
pipecolic acid pipecolic acid: RN given refers to cpd without isomeric designation. pipecolic acid : A piperidinemonocarboxylic acid in which the carboxy group is located at position C-2.. pipecolate : A piperidinecarboxylate that is the conjugate base of pipecolic acid.	2.01	1	0	piperidinemonocarboxylic acid
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.	3.47	7	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
inositol Inositol: An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction.. inositol : Any cyclohexane-1,2,3,4,5,6-hexol.. 1D-chiro-inositol : Belonging to the inositol family of compounds, D-chiro-inositol (DCI) is an isomer of glucose. It is an important secondary messenger in insulin signal transduction.. muco-inositol : An inositol that is cyclohexane-1,2,3,4,5,6-hexol having a (1R,2R,3r,4R,5S,6r)-configuration.	2.11	1	0	cyclitol; hexol
croton oil [no description available]	2.77	3	0	N-acyl-hexosamine
naphthalene [no description available]	2.07	1	0	naphthalenes; ortho-fused bicyclic arene	apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component
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.	2.43	2	0	metal allergen; nickel group element atom	epitope; micronutrient
niacin Niacin: A water-soluble vitamin of the B complex occurring in various animal and plant tissues. It is required by the body for the formation of coenzymes NAD and NADP. It has PELLAGRA-curative, vasodilating, and antilipemic properties.. vitamin B3 : Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms).. nicotinic acid : A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group.	2.01	1	0	pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3	antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent
nitrates Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical.	2.44	2	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)	2.1	1	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
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.	2.41	2	0	octanol; primary alcohol	antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite
hydroxide ion [no description available]	2.1	1	0	oxygen hydride	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.	2.41	1	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
pentachlorophenol PENTA: structure given in first source	2.11	1	0	aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes	human xenobiotic metabolite
phenylalanine [no description available]	2.11	1	0	alpha-amino acid; aromatic amino acid	Daphnia magna metabolite
phenol [no description available]	1.97	1	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
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.	2.48	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.	2.73	3	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.	2	1	0	saturated fatty acid; short-chain fatty acid	antifungal drug
pyridine azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'.	2.1	1	0	azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines	environmental contaminant; NMR chemical shift reference compound
pyrogallol benzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring.	2.45	2	0	benzenetriol; phenolic donor	plant metabolite
sarcosine cocobetaine: N-alkyl-betaine; cause of shampoo dermatitis	3.46	1	1	N-alkylglycine zwitterion; N-alkylglycine; N-methyl-amino acid; N-methylglycines	Escherichia coli metabolite; glycine receptor agonist; glycine transporter 1 inhibitor; human metabolite; mouse metabolite
sulfur dioxide Sulfur Dioxide: A highly toxic, colorless, nonflammable gas. It is used as a pharmaceutical aid and antioxidant. It is also an environmental air pollutant.	2.13	1	0	sulfur oxide	Escherichia coli metabolite; food bleaching agent; refrigerant
toluene methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups.	2.55	2	0	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
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.	2.25	1	0	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
urea pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives.	2.53	2	0	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae 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).	2.46	2	0	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite
menthol Menthol: A monoterpene cyclohexanol produced from mint oils.	12.18	136	10	p-menthane monoterpenoid; secondary alcohol	volatile oil component
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
2-aminoethoxydiphenyl borate 2-aminoethoxydiphenyl borate: is a novel membrane-penetrable modulator and transient receptor potential channel blocker; structure in first source; do not confuse with 2-APB cpd. 2-aminoethoxydiphenylborane : An organoboron compound that is diphenylborane in which the borane hydrogen is replaced by a 2-aminoethoxy group.	3.12	1	0	organoboron compound; primary amino compound	calcium channel blocker; IP3 receptor antagonist; potassium channel opener
nsc-267703 [no description available]	2.11	1	0	anthracycline
8-phenyltheophylline 8-phenyltheophylline: purinergic P1 receptor antagonist	2.01	1	0
n-acetyltryptophan N-acetyltryptophan : An N-acetylamino acid that is the N-acetyl derivative of tryptophan.	2.11	1	0	N-acetyl-amino acid; tryptophan derivative	metabolite
tyrphostin ag957 tyrphostin AG957: tyrosine kinase blocker; structure given in first source	2.11	1	0	aromatic amine
ambroxol Ambroxol: A metabolite of BROMHEXINE that stimulates mucociliary action and clears the air passages in the respiratory tract. It is usually administered as the hydrochloride.	3.45	1	1	aromatic amine
theophylline [no description available]	2.41	2	0	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent
2-amino-4-phosphonobutyric acid 2-amino-4-phosphonobutyric acid: glutamate antagonist in locust muscle; structure; do not confuse with L-AP4, which is the propionic acid version	2.11	1	0
aristolochic acid i aristolochic acid I: phospholipase A inhibitor. aristolochic acid A : An aristolochic acid that is phenanthrene-1-carboxylic acid that is substituted by a methylenedioxy group at the 3,4 positions, by a methoxy group at position 8, and by a nitro group at position 10. It is the most abundant of the aristolochic acids and is found in almost all Aristolochia (birthworts or pipevines) species. It has been tried in a number of treatments for inflammatory disorders, mainly in Chinese and folk medicine. However, there is concern over their use as aristolochic acid is both carcinogenic and nephrotoxic.	2.11	1	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
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.	2.01	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
benzbromarone Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout.. benzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication.	2.11	1	0	1-benzofurans; aromatic ketone	uricosuric drug
benzocaine Benzocaine: A surface anesthetic that acts by preventing transmission of impulses along NERVE FIBERS and at NERVE ENDINGS.. dextran sulfate sodium : An organic sodium salt of dextran sulfate. It induces colitis in mice.. benzocaine : A benzoate ester having 4-aminobenzoic acid as the acid component and ethanol as the alcohol component. A surface anaesthetic, it is used to suppress the gag reflex, and as a lubricant and topical anaesthetic on the larynx, mouth, nasal cavity, respiratory tract, oesophagus, rectum, urinary tract, and vagina.	1.97	1	0	benzoate ester; substituted aniline	allergen; antipruritic drug; sensitiser; topical anaesthetic
benzylhydrochlorothiazide [no description available]	2.11	1	0	benzenes; benzothiadiazine; organochlorine compound; secondary amino compound; sulfonamide
bumetanide [no description available]	2.06	1	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
buspirone Buspirone: An anxiolytic agent and serotonin receptor agonist belonging to the azaspirodecanedione class of compounds. Its structure is unrelated to those of the BENZODIAZAPINES, but it has an efficacy comparable to DIAZEPAM.. buspirone : An azaspiro compound that is 8-azaspiro[4.5]decane-7,9-dione substituted at the nitrogen atom by a 4-(piperazin-1-yl)butyl group which in turn is substituted by a pyrimidin-2-yl group at the N(4) position.	2.01	1	0	azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
caffeine [no description available]	3.32	6	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
verapamil Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent.. verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.. 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.	2.05	1	0	aromatic ether; nitrile; polyether; tertiary amino compound
camphor, (+-)-isomer [no description available]	8.13	84	3	bornane monoterpenoid; cyclic monoterpene ketone	plant metabolite
cetylpyridinium Cetylpyridinium: Cationic bactericidal surfactant used as a topical antiseptic for skin, wounds, mucous membranes, instruments, etc.; and also as a component in mouthwash and lozenges.	4.37	2	2	pyridinium ion
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.	1.99	1	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic 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.	2.59	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
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.	2.05	1	0	clonidine; imidazoline
clotrimazole [no description available]	2.06	1	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
amberlite cg 400 [no description available]	2.11	1	0	methyl ester; organic heteropentacyclic compound; yohimban alkaloid
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.	2.21	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.	2.01	1	0	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
dibutyl phthalate Dibutyl Phthalate: A plasticizer used in most plastics and found in water, air, soil, plants and animals. It may have some adverse effects with long-term exposure.. dibutyl phthalate : A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans.	2.41	1	0	diester; phthalate ester	EC 3.2.1.20 (alpha-glucosidase) inhibitor; environmental contaminant; metabolite; plasticiser; teratogenic agent
dichlorvos Dichlorvos: An organophosphorus insecticide that inhibits ACETYLCHOLINESTERASE.. dichlorvos : An alkenyl phosphate that is the 2,2-dichloroethenyl ester of dimethyl phosphate.	2.05	1	0	alkenyl phosphate; dialkyl phosphate; organochlorine acaricide; organophosphate insecticide	anthelminthic drug; antibacterial agent; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
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.	2.39	2	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
stallimycin [no description available]	2.11	1	0
domperidone Domperidone: A specific blocker of dopamine receptors. It speeds gastrointestinal peristalsis, causes prolactin release, and is used as antiemetic and tool in the study of dopaminergic mechanisms.. domperidone : 1-[3-(Piperidin-1-yl)propyl]-1,3-dihydro-2H-benzimidazol-2-one in which the 4-position of the piperidine ring is substituted by a 5-chloro-1,3-dihydro-2H-benzimidazol-2-on-1-yl group. A dopamine antagonist, it is used as an antiemetic for the short-term treatment of nausea and vomiting, and to control gastrointestinal effects of dopaminergic drugs given in the management of parkinsonism. The free base is used in oral suspensions, while the maleate salt is used in tablet preparations.	2.11	1	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
donepezil Donepezil: An indan and piperidine derivative that acts as a selective and reversible inhibitor of ACETYLCHOLINESTERASE. Donepezil is highly selective for the central nervous system and is used in the management of mild to moderate DEMENTIA in ALZHEIMER DISEASE.. donepezil : A racemate comprising equimolar amounts of (R)- and (S)-donepezil. A centrally acting reversible acetylcholinesterase inhibitor, its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine.. 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one : A member of the class of indanones that is 5,6-dimethoxyindan-1-one which is substituted at position 2 by an (N-benzylpiperidin-4-yl)methyl group.	2.15	1	0	aromatic ether; indanones; piperidines; racemate	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent
ellipticine ellipticine : A organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11.	2.11	1	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene	antineoplastic agent; plant metabolite
ether Ether: A mobile, very volatile, highly flammable liquid used as an inhalation anesthetic and as a solvent for waxes, fats, oils, perfumes, alkaloids, and gums. It is mildly irritating to skin and mucous membranes.. ether : An organooxygen compound with formula ROR, where R is not hydrogen.. diethyl ether : An ether in which the oxygen atom is linked to two ethyl groups.	7.37	2	0	ether; volatile organic compound	inhalation anaesthetic; non-polar solvent; refrigerant
felodipine Felodipine: A dihydropyridine calcium antagonist with positive inotropic effects. It lowers blood pressure by reducing peripheral vascular resistance through a highly selective action on smooth muscle in arteriolar resistance vessels.. felodipine : The mixed (methyl, ethyl) diester of 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid. A calcium-channel blocker, it lowers blood pressure by reducing peripheral vascular resistance through a highly selective action on smooth muscle in arteriolar resistance vessels. It is used in the management of hypertension and angina pectoris.	2.03	1	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
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.	2.05	1	0	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent
fluorouracil Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid.. 5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth.	1.98	1	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
flurbiprofen Flurbiprofen: An anti-inflammatory analgesic and antipyretic of the phenylalkynoic acid series. It has been shown to reduce bone resorption in periodontal disease by inhibiting CARBONIC ANHYDRASE.. flurbiprofen : A monocarboxylic acid that is a 2-fluoro-[1,1'-biphenyl-4-yl] moiety linked to C-2 of propionic acid. A non-steroidal anti-inflammatory, analgesic and antipyretic, it is used as a pre-operative anti-miotic as well as orally for arthritis or dental pain.	7.76	2	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
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.	1.97	1	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
glyphosate glyphosate: active cpd in herbicidal formulation Roundup; inhibits EC 2.5.1.19, 5-enolpyruvylshikimate-3-phosphate synthase; structure. glyphosate : A phosphonic acid resulting from the formal oxidative coupling of the methyl group of methylphosphonic acid with the amino group of glycine. It is one of the most commonly used herbicides worldwide, and the only one to target the enzyme 5-enolpyruvyl-3-shikimate phosphate synthase (EPSPS).	2.11	1	0	glycine derivative; phosphonic acid	agrochemical; EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor; herbicide
guaifenesin Guaifenesin: An expectorant that also has some muscle relaxing action. It is used in many cough preparations.	2.78	3	0	methoxybenzenes
haloperidol Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.	3.43	7	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
halothane [no description available]	3.24	6	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
miltefosine miltefosine: hexadecyl phosphocholine derivative of cisplatin; did not substantially activate HIV long terminal repeat; less toxic than cisplatin. miltefosine : A phospholipid that is the hexadecyl monoester of phosphocholine.	2.11	1	0	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor
hypericin [no description available]	2.11	1	0
ibuprofen Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine	2.9	2	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
lidocaine Lidocaine: A local anesthetic and cardiac depressant used as an antiarrhythmia agent. Its actions are more intense and its effects more prolonged than those of PROCAINE but its duration of action is shorter than that of BUPIVACAINE or PRILOCAINE.. lidocaine : The monocarboxylic acid amide resulting from the formal condensation of N,N-diethylglycine with 2,6-dimethylaniline.	2.05	1	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
batyl alcohol batyl alcohol: RN given refers to cpd without isomeric designation. batilol : An alkylglycerol that is glycerol in which one of the primary hydroxy groups has been converted into the corresponding octadecyl ether. It is used in cosmetics as a stabilising ingredient and skin-conditioning agent.	2.11	1	0	alkylglycerol
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.	2.11	1	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.	2.7	3	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	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.	2.77	3	0	secondary alcohol; secondary fatty alcohol	protic solvent
isoproterenol Isoproterenol: Isopropyl analog of EPINEPHRINE; beta-sympathomimetic that acts on the heart, bronchi, skeletal muscle, alimentary tract, etc. It is used mainly as bronchodilator and heart stimulant.. isoprenaline : A secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on beta-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders.	2.75	3	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
nsc 664704 kenpaullone: inhibits CDK1/cyclin B; structure in first source. kenpaullone : An indolobenzazepine that is paullone in which the hydrogen at position 9 is replaced by a bromo substituent. It is an ATP-competitive inhibitor of cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3beta (GSK3beta).	2.11	1	0	indolobenzazepine; lactam; organobromine compound	cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector
ketamine Ketamine: A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE) and may interact with sigma receptors.. ketamine : A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group.	2.21	1	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
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.	2.45	2	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
khellin Khellin: A vasodilator that also has bronchodilatory action. It has been employed in the treatment of angina pectoris, in the treatment of asthma, and in conjunction with ultraviolet light A, has been tried in the treatment of vitiligo. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1024). khellin : A furanochrome in which the basic tricyclic skeleton is substituted at positions 4 and 9 with methoxy groups and at position 7 with a methyl group. A major constituent of the plant Ammi visnaga it is a herbal folk medicine used for various illnesses, its main effect being as a vasodilator.	2.11	1	0	furanochromone; organic heterotricyclic compound; oxacycle	anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent
2-amino-3-phosphonopropionic acid 2-amino-3-phosphonopropionic acid: metabotropic glutamate receptor antagonist; do not confuse AP-3 used as an abbreviation for this with enhancer-binding protein AP-3 (a trans-activator) or clathrin assembly protein AP-3. 2-amino-3-phosphonopropanoic acid : A non-proteinogenc alpha-amino acid that is alanine in which one of the hydrogens of the terminal methyl group has been replaced by a dihydroxy(oxido)-lambda(5)-phosphanyl group.	2.11	1	0	alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids	human metabolite; metabotropic glutamate receptor antagonist
benzylsuccinic acid benzylsuccinic acid: inhibitor of carboxypeptidase A. 2-benzylsuccinic acid : A dicarboxylic acid consisting of succinic acid carrying a 2-benzyl substituent.	2.11	1	0	dicarboxylic acid	bacterial xenobiotic metabolite
beta-lapachone beta-lapachone: antineoplastic inhibitor of reverse transcriptase, DNA topoisomerase, and DNA polymerase. beta-lapachone : A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities.	2.11	1	0	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite
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.	1.98	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; antibacterial agent; plant metabolite
6-anilino-5,8-quinolinedione 6-anilino-5,8-quinolinedione: structure given in first source; SRS-A & guanylate cyclase antagonist. 6-anilino-5,8-quinolinedione : A quinolone that is quinoline-5,8-dione in which the hydrogen at position 6 is replaced by an anilino group.	1.99	1	0	aminoquinoline; aromatic amine; p-quinones; quinolone	antineoplastic agent; EC 4.6.1.2 (guanylate cyclase) inhibitor
malathion Malathion: A wide spectrum aliphatic organophosphate insecticide widely used for both domestic and commercial agricultural purposes.. malathion : A racemate comprising equimolar amounts of (R) and (S)-malathion. It is a broad spectrum organophosphate proinsecticide used to control a wide range of pests including Coleoptera, Diptera, fruit flies, mosquitos and spider mites.. diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate : A diester that is diethyl succinate in which position 2 is substituted by a (dimethoxyphosphorothioyl)thio group.	3.46	1	1	diester; ethyl ester; organic thiophosphate
mefenamic acid Mefenamic Acid: A non-steroidal anti-inflammatory agent with analgesic, anti-inflammatory, and antipyretic properties. It is an inhibitor of cyclooxygenase.. mefenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,3-dimethylphenyl group. Although classed as a non-steroidal anti-inflammatory drug, its anti-inflammatory properties are considered to be minor. It is used to relieve mild to moderate pain, including headaches, dental pain, osteoarthritis and rheumatoid arthritis.	2.03	1	0	aminobenzoic acid; secondary amino compound	analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
memantine [no description available]	2.15	1	0	adamantanes; primary aliphatic amine	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
vitamin k 3 Vitamin K 3: A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo.	2.01	1	0	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical
mesoridazine Mesoridazine: A phenothiazine antipsychotic with effects similar to CHLORPROMAZINE.. mesoridazine : A phenothiazine substituted at position 2 (para to the S atom) by a methylsulfinyl group, and on the nitrogen by a 2-(1-methylpiperidin-2-yl)ethyl group.	2.11	1	0	phenothiazines; sulfoxide; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic
methoxsalen Methoxsalen: A naturally occurring furocoumarin compound found in several species of plants, including Psoralea corylifolia. It is a photoactive substance that forms DNA ADDUCTS in the presence of ultraviolet A irradiation.. methoxsalen : A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis.	2.11	1	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
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.	6.22	9	4	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite
metoprolol Metoprolol: A selective adrenergic beta-1 blocking agent that is commonly used to treat ANGINA PECTORIS; HYPERTENSION; and CARDIAC ARRHYTHMIAS.. metoprolol : A propanolamine that is 1-(propan-2-ylamino)propan-2-ol substituted by a 4-(2-methoxyethyl)phenoxy group at position 1.	2.03	1	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
minoxidil Minoxidil: A potent direct-acting peripheral vasodilator (VASODILATOR AGENTS) that reduces peripheral resistance and produces a fall in BLOOD PRESSURE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p371). minoxidil : A pyrimidine N-oxide that is pyrimidine-2,4-diamine 3-oxide substituted by a piperidin-1-yl group at position 6.	2.05	1	0	dialkylarylamine; tertiary amino compound
myristicin myristicin: asaricin is an isomer; structure; a methylene dioxy version of elemicin;	2.11	1	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.	2.41	1	0	benzamides; monocarboxylic acid amide	environmental contaminant; insect repellent; xenobiotic
nifedipine Nifedipine: A potent vasodilator agent with calcium antagonistic action. It is a useful anti-anginal agent that also lowers blood pressure.	2.1	1	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
niflumic acid Niflumic Acid: An analgesic and anti-inflammatory agent used in the treatment of rheumatoid arthritis.	2.42	2	0	aromatic carboxylic acid; pyridines
nimodipine Nimodipine: A calcium channel blockader with preferential cerebrovascular activity. It has marked cerebrovascular dilating effects and lowers blood pressure.. nimodipine : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a (2-methoxyethoxy)carbonyl group at position 3, a m-nitrophenyl group at position 4, and an isopropoxycarbonyl group at position 5. An L-type calcium channel blocker, it acts particularly on cerebral circulation, and is used both orally and intravenously for the prevention and treatment of subarachnoid hemorrhage from ruptured intracranial aneurysm.	2.01	1	0	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide: structure given in first source. NS-398 : A C-nitro compound that is N-methylsulfonyl-4-nitroaniline bearing an additional cyclohexyloxy substituent at position 2.	2.01	1	0	aromatic ether; C-nitro compound; sulfonamide	antineoplastic agent; cyclooxygenase 2 inhibitor
octopamine Octopamine: An alpha-adrenergic sympathomimetic amine, biosynthesized from tyramine in the CNS and platelets and also in invertebrate nervous systems. It is used to treat hypotension and as a cardiotonic. The natural D(-) form is more potent than the L(+) form in producing cardiovascular adrenergic responses. It is also a neurotransmitter in some invertebrates.. octopamine : A member of the class of phenylethanolamines that is phenol which is substituted at the para- position by a 2-amino-1-hydroxyethyl group. A biogenic phenylethanolamine which has been found to act as a neurotransmitter, neurohormone or neuromodulator in invertebrates.	2.07	1	0	phenylethanolamines; tyramines	neurotransmitter
ofloxacin Ofloxacin: A synthetic fluoroquinolone antibacterial agent that inhibits the supercoiling activity of bacterial DNA GYRASE, halting DNA REPLICATION.. 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid : An oxazinoquinoline that is 2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinolin-7-one substituted by methyl, carboxy, fluoro, and 4-methylpiperazin-1-yl groups at positions 3, 6, 9, and 10, respectively.. ofloxacin : A racemate comprising equimolar amounts of levofloxacin and dextrofloxacin. It is a synthetic fluoroquinolone antibacterial agent which inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication.	2.05	1	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
oxaprozin Oxaprozin: An oxazole-propionic acid derivative, cyclooxygenase inhibitor, and non-steroidal anti-inflammatory drug that is used in the treatment of pain and inflammation associated with of OSTEOARTHRITIS; RHEUMATOID ARTHRITIS; and ARTHRITIS, JUVENILE.. oxaprozin : A monocarboxylic acid that is a propionic acid derivative having a 4,5-diphenyl-1,3-oxazol-2-yl substituent at position 3. It is non-steroidal anti-inflammatory drug commonly used to relieve the pain and inflammatory responses associated with osteoarthritis and rheumatoid arthritis.	2.11	1	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxybutynin oxybutynin: RN given refers to parent cpd. oxybutynin : A racemate comprising equimolar amounts of (R)-oxybutynin and esoxybutynin. An antispasmodic used for the treatment of overactive bladder.	2.06	1	0	acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound	antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic
penicillamine [no description available]	2.11	1	0	non-proteinogenic alpha-amino acid; thiol
pentoxifylline [no description available]	2.11	1	0	oxopurine
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.	2.11	1	0	2,1-benzoxathiole; arenesulfonate ester; phenols; sultone	acid-base indicator; diagnostic agent; two-colour indicator
Picrotin, analytical standard [no description available]	2.11	1	0	furopyran
pomiferin pomiferin: structure in first source	2.11	1	0	isoflavanones
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.	2.06	1	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
pridinol pridinol: antispasmodic & muscle relaxant; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7539. pridinol : A piperidine substituted at position 1 by a 3-hydroxy-3,3-diphenylpropyl group.	2.11	1	0	piperidines; tertiary alcohol	antiparkinson drug; muscle relaxant
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.	3.25	1	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.	2.08	1	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
rofecoxib [no description available]	2.01	1	0	butenolide; sulfone	analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
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.	2.72	3	0	benzodioxoles	flavouring agent; insecticide; metabolite; plant metabolite
stearic acid octadecanoic acid : A C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics.	2.03	1	0	long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite
sulfaquinoxaline Sulfaquinoxaline: An antiprotozoal agent used to combat coccidial infections of swine, cattle, fowl, and other veterinary animals. Also used in controlling outbreaks of fowl typhoid and fowl cholera and in treatment of infectious enteritis.	2.11	1	0	benzenes; sulfonamide
sulfasalazine Sulfasalazine: A drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see MESALAMINE) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907). sulfasalazine : An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position.	2.13	1	0
suramin Suramin: A polyanionic compound with an unknown mechanism of action. It is used parenterally in the treatment of African trypanosomiasis and it has been used clinically with diethylcarbamazine to kill the adult Onchocerca. (From AMA Drug Evaluations Annual, 1992, p1643) It has also been shown to have potent antineoplastic properties.. suramin : A member of the class of phenylureas that is urea in which each of the amino groups has been substituted by a 3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl group. An activator of both the rabbit skeletal muscle RyR1 and sheep cardiac RyR2 isoform ryanodine receptor channels, it has been used for the treatment of human African trypanosomiasis for over 100 years.	2.11	1	0	naphthalenesulfonic acid; phenylureas; secondary carboxamide	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
4-methylglutamic acid 4-methylglutamic acid : A glutamic acid derivative that is glutamic acid substituted by a methyl group at position 4.	2.11	1	0	amino dicarboxylic acid; glutamic acid derivative
tazarotene tazarotene: a topical acetylenic retinoid; a topical kerytolytic. tazarotene : The ethyl ester of tazarotenic acid. A prodrug for tazarotenic acid, it is used for the treatment of psoriasis, acne, and sun-damaged skin.	3.59	1	1	acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane	keratolytic drug; prodrug; teratogenic agent
tetraethylammonium Tetraethylammonium: A potassium-selective ion channel blocker. (From J Gen Phys 1994;104(1):173-90)	2.05	1	0	quaternary ammonium ion
tizanidine tizanidine: RN given refers to parent cpd; structure. tizanidine : 2,1,3-Benzothiadiazole substituted at C-4 by a Delta(1)-imidazolin-2-ylamino group and at C-4 by a chloro group. It is an agonist at alpha2-adrenergic receptor sites.	2.05	1	0	benzothiadiazole; imidazoles	alpha-adrenergic agonist; muscle relaxant
tolbutamide Tolbutamide: A sulphonylurea hypoglycemic agent with actions and uses similar to those of CHLORPROPAMIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p290). tolbutamide : An N-sulfonylurea that consists of 1-butylurea having a tosyl group attached at the 3-position.	2	1	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
triclosan [no description available]	3.37	1	1	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
w 7 W 7: RN given refers to parent cpd; structure; calmodulin antagonist	1.99	1	0
piperonyl butoxide [no description available]	2.01	1	0	benzodioxoles	pesticide synergist
carbachol Carbachol: A slowly hydrolyzed CHOLINERGIC AGONIST that acts at both MUSCARINIC RECEPTORS and NICOTINIC RECEPTORS.	2.48	2	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
pilocarpine hydrochloride pilocarpine hydrochloride : The hydrochloride salt of (+)-pilocarpine, a medication used to treat increased pressure inside the eye and dry mouth.	2.11	1	0	hydrochloride
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.	2.17	1	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
serine Serine: A non-essential amino acid occurring in natural form as the L-isomer. It is synthesized from GLYCINE or THREONINE. It is involved in the biosynthesis of PURINES; PYRIMIDINES; and other amino acids.. serine : An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group.	2.15	1	0	L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
aspartic acid Aspartic Acid: One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.. aspartic acid : An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent. L-aspartic acid : The L-enantiomer of aspartic acid.	2.57	2	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
lysine Lysine: An essential amino acid. It is often added to animal feed.. lysine : A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6.. L-lysine : An L-alpha-amino acid; the L-isomer of lysine.	2.15	1	0	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
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.	3.12	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.	2.82	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.	1.99	1	0	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
bromodeoxyuridine Bromodeoxyuridine: A nucleoside that substitutes for thymidine in DNA and thus acts as an antimetabolite. It causes breaks in chromosomes and has been proposed as an antiviral and antineoplastic agent. It has been given orphan drug status for use in the treatment of primary brain tumors.	2.11	1	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
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.	2.05	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.	6.1	10	1	benzenes; primary alcohol	Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite
veratramine veratramine: structure. veratramine : A piperidine alkaloid comprising the 14,15,16,17-tetradehydro derivative of veratraman having two hydroxy groups at the 3- and 23-positions.	2.11	1	0	piperidine alkaloid
berlition berlition: antioxidant preparation containing alpha-lipoic acid, used in the neuroprotective therapy of chronic brain ischemia for correction of free-radical processes. (R)-lipoic acid : The (R)-enantiomer of lipoic acid. A vitamin-like, C8 thia fatty acid with anti-oxidant properties.. lipoic acid : A heterocyclic thia fatty acid comprising pentanoic acid with a 1,2-dithiolan-3-yl group at the 5-position.	2.01	1	0	dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid	cofactor; nutraceutical; prosthetic group
1,2-dipalmitoylphosphatidylcholine 1,2-Dipalmitoylphosphatidylcholine: Synthetic phospholipid used in liposomes and lipid bilayers to study biological membranes. It is also a major constituent of PULMONARY SURFACTANTS.	2.03	1	0
egtazic acid Egtazic Acid: A chelating agent relatively more specific for calcium and less toxic than EDETIC ACID.. ethylene glycol bis(2-aminoethyl)tetraacetic acid : A diether that is ethylene glycol in which the hydrogens of the hydroxy groups have been replaced by 2-[bis(carboxymethyl)amino]ethyl group respectively.	2	1	0	diether; tertiary amino compound; tetracarboxylic acid	chelator
chloroform Chloroform: A commonly used laboratory solvent. It was previously used as an anesthetic, but was banned from use in the U.S. due to its suspected carcinogenicity.. chloroform : A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines.	4.57	25	0	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
dimethylformamide Dimethylformamide: A formamide in which the amino hydrogens are replaced by methyl groups.. N,N-dimethylformamide : A member of the class of formamides that is formamide in which the amino hydrogens are replaced by methyl groups.	3.4	1	1	formamides; volatile organic compound	geroprotector; hepatotoxic agent; polar aprotic solvent
asparagine Asparagine: A non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. It is biosynthesized from ASPARTIC ACID and AMMONIA by asparagine synthetase. (From Concise Encyclopedia Biochemistry and Molecular Biology, 3rd ed). asparagine : An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 2-amino-2-oxoethyl group.	2.76	3	0	amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
histidine Histidine: An essential amino acid that is required for the production of HISTAMINE.. L-histidine : The L-enantiomer of the amino acid histidine.. histidine : An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3.	2.05	1	0	amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
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.	3.6	9	0	pentanol; short-chain primary fatty alcohol	human metabolite; plant metabolite
valine Valine: A branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway.. valine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group.. L-valine : The L-enantiomer of valine.	2.5	2	0	L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
arginine Arginine: An essential amino acid that is physiologically active in the L-form.. arginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group.	2.15	1	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
boranes Boranes: The collective name for the boron hydrides, which are analogous to the alkanes and silanes. Numerous boranes are known. Some have high calorific values and are used in high-energy fuels. (From Grant & Hackh's Chemical Dictionary, 5th ed). borane : The simplest borane, consisting of a single boron atom carrying three hydrogens.. boranes : The molecular hydrides of boron.	2.45	2	0	boranes; mononuclear parent hydride
ethanethiol ethanethiol: RN given refers to parent cpd; structure. ethanethiol : An alkanethiol that is ethane substituted by a thiol group at position 1. It is added to odorless gaseous products such as liquefied petroleum gas (LPG) to provide a garlic scent which helps warn of gas leaks.	2.04	1	0	alkanethiol	rodenticide
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
gibberellic acid gibberellic acid: RN given refers to (1alpha,2beta,4aalpha,4bbeta,10beta)-isomer; structure. gibberellin A3 : A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi,it differs from gibberellin A1 in the presence of a double bond between C-3 and C-4.	2.11	1	0	C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound	mouse metabolite; plant metabolite
linalool linalool: RN given refers to parent cpd without isomeric designation; structure. 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.	6.64	63	0	monoterpenoid; tertiary alcohol	antimicrobial agent; fragrance; plant metabolite; volatile oil component
acrylic acid acrylic acid: RN given refers to parent cpd. acrylic acid : A alpha,beta-unsaturated monocarboxylic acid that is ethene substituted by a carboxy group.	2.04	1	0	alpha,beta-unsaturated monocarboxylic acid	metabolite
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.	3.87	11	0	carbobicyclic compound; monoterpene	fragrance; plant metabolite
tetrabromobisphenol a tetrabromobisphenol A: a brominated flame retardant. 3,3',5,5'-tetrabromobisphenol A : A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant.	7.6	1	0	brominated flame retardant; bromobisphenol
bisphenol a 4,4'-isopropylidene diphenol: stimulates proliferative responses and cytokine productions of murine spleen cells and thymus cells in vitro. bisphenol : By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom.. bisphenol A : A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups.	3.07	3	0	bisphenol	endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen
alpha-pinene [no description available]	13.59	67	1	pinene	plant metabolite
diisobutyl phthalate diisobutyl phthalate : A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of isobutanol.	7.41	1	0	diester; phthalate ester	plasticiser; PPAR modulator; teratogenic agent
santowhite powder 4,4'-butylidenebis(6-tert-butyl-m-cresol): putatively both an androgen and estrogen antagonist; structure in first source	2.11	1	0
pyocyanine Pyocyanine: Antibiotic pigment produced by Pseudomonas aeruginosa.. pyocyanine : An iminium betaine that is 5-methylphenazin-5-ium which is substituted at position 1 by an oxidanidyl group. An antibiotic pigment produced by Pseudomonas aeruginosa.	2.31	1	0	iminium betaine; phenazines	antibacterial agent; bacterial metabolite; biological pigment; virulence factor
isoamyl salicylate [no description available]	1.97	1	0	benzoate ester; phenols
n-vinyl-2-pyrrolidinone N-vinyl-2-pyrrolidinone: monomer of POVIDONE; structure given in first source	2.06	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.	3.03	4	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.	7.49	28	5	monoterpenoid; phenols	volatile oil component
salicylaldehyde o-hydroxybenzaldehyde: structure in first source	1.99	1	0	hydroxybenzaldehyde	nematicide; plant metabolite
diphenyl diphenyl: RN given refers to unlabeled cpd; structure	2.41	1	0	aromatic fungicide; benzenes; biphenyls	antifungal agrochemical; antimicrobial food preservative
methyleugenol methyleugenol: structure	2.94	4	0	phenylpropanoid
methyl benzoate methyl benzoate : A benzoate ester obtained by condensation of benzoic acid and methanol.	2.6	1	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)	2.02	1	0	benzoate ester; paraben; phenols	antifungal agent; antimicrobial agent
fentichlor fentichlor: structure. fenticlor : An aryl sulfide having two 5-chloro-2-hydroxyphenyl groups attached to sulfur; an antiinfective drug mostly used in veterinary medicine.	2.11	1	0	aryl sulfide; bridged diphenyl antifungal drug; monochlorobenzenes; polyphenol	antiinfective agent; drug allergen
furaldehyde Furaldehyde: A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group.. furfural : An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group.	2.21	1	0	aldehyde; furans	Maillard reaction product; metabolite
furfuryl mercaptan furfuryl mercaptan: major flavoring agent in coffee; structure in first source	2.31	1	0	heteroarene
pyrrolidonecarboxylic acid Pyrrolidonecarboxylic Acid: A cyclized derivative of L-GLUTAMIC ACID. Elevated blood levels may be associated with problems of GLUTAMINE or GLUTATHIONE metabolism.. 5-oxo-L-proline : An optically active form of 5-oxoproline having L-configuration.	2.11	1	0	5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid	algal metabolite
cumene cumene : An alkylbenzene that is benzene carrying an isopropyl group.	2.02	1	0	alkylbenzene
acetophenone acetophenone : A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group.	2.93	4	0	acetophenones	animal metabolite; photosensitizing agent; xenobiotic
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.	2.52	2	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.	8.65	9	0	botanical anti-fungal agent; carvones	allergen
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).	3.23	1	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.	5.94	18	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.	6.46	31	0	monoterpene; toluenes	human urinary metabolite; plant metabolite; volatile oil component
2-diethylaminoethanol 2-diethylaminoethanol: RN given refers to unlabeled parent cpd. 2-diethylaminoethanol : A member of the class of ethanolamines that is aminoethanol in which the hydrogens of the amino group are replaced by ethyl groups.	2.6	1	0	ethanolamines; primary alcohol; tertiary amino compound
anisole anisole : A monomethoxybenzene that is benzene substituted by a methoxy group.	2.03	1	0	monomethoxybenzene	plant metabolite
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.	5.81	4	2	aldehyde; monoterpenoid	antifungal agent; metabolite
4-xylene p-xylene : A xylene with methyl groups at positions 1 and 4.	2.21	1	0	xylene
acrolein [no description available]	3.54	8	0	enal	herbicide; human xenobiotic metabolite; toxin
2-methylpentane Hexanes: Six-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives. Various polyneuropathies are caused by hexane poisoning.	2.15	1	0	alkane
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.	16.72	599	22	cyclohexanols; secondary alcohol	solvent
hexadecanolide hexadecanolide: structure in first source	2.11	1	0	macrolide
thiophenes Thiophenes: A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.. thiophenes : Compounds containing at least one thiophene ring.	2.53	2	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
isopropyl myristate isopropyl myristate: used for microemulsions; structure	2.41	2	0	fatty acid ester
2-heptanone heptan-2-one : A dialkyl ketone with methyl and pentyl as the alkyl groups.	2.73	3	0	dialkyl ketone; methyl ketone	mouse metabolite; pheromone
n-hexane hexane : An unbranched alkane containing six carbon atoms.	2.15	1	0	alkane; volatile organic compound	neurotoxin; non-polar solvent
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.	2.73	3	0	hexanol; primary alcohol	alarm pheromone; antibacterial agent; fragrance; plant metabolite
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.	2.21	1	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.	2.44	2	0	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	biomarker
nonane iotrochotin: toxin from the Caribbean sponge Iotrochota birotulata, which selectively permeabilizes synaptosomes. nonane : A straight chain alkane composed of 9 carbon atoms.	2.15	1	0	alkane	plant metabolite; volatile oil component
carbitol carbitol: used as lubricating oil & in braking fluid, structure. diethylene glycol monoethyl ether : A primary alcohol that is ethanol substituted by a 2-ethoxyethoxy group at position 2.	2.05	1	0	diether; glycol ether; hydroxypolyether; primary alcohol	protic solvent
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-dodecane dodecane : A straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including Zingiber officinale (ginger).	2.46	2	0	alkane	plant 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.	3.67	9	0	acetate ester; monoterpenoid
2-methylbutanoic acid 2-methylbutanoic acid: RN given refers to parent cpd without isomeric designation. 2-methylbutyric acid : A methylbutyric acid comprising a butyric acid core carrying a 2-methyl substituent. Produced from amino acid leucine during nutrient starvation in bacteria.	2.21	1	0	methylbutyric acid	bacterial metabolite; human metabolite
diethylhexyl phthalate Diethylhexyl Phthalate: An ester of phthalic acid. It appears as a light-colored, odorless liquid and is used as a plasticizer for many resins and elastomers.. bis(2-ethylhexyl) phthalate : A phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid.	2.25	1	0	diester; phthalate ester	androstane receptor agonist; apoptosis inhibitor; plasticiser
ethyl salicylate ethyl salicylate: causes erythema after topical application as an aerosol; found in blood	1.97	1	0	hydroxybenzoic acid
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
pamoic acid pamoic acid: RN given refers to parent cpd; structure	2.11	1	0	dicarboxylic acid
captan Captan: One of the phthalimide fungicides.. captan : A dicarboximide that is 3a,4,7,7a-tetrahydrophthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethyl group. A non-systemic fungicide introduced in the 1950s, it is widely used for the control of fungal diseases in fruits, vegetables, and ornamental crops.	2.03	1	0	isoindoles; organochlorine compound; organosulfur compound; phthalimide fungicide	antifungal agrochemical
carzenide [no description available]	2.11	1	0	sulfonamide
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.	2.81	3	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.	2.01	1	0	acetate ester; benzyl ester	metabolite
estragole estragole : A phenylpropanoid that is chavicol in which the hydroxy group is replaced by a methoxy group.	2.97	4	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.	2.97	4	0	monoterpenoid	plant metabolite
hexanoic acid hexanoic acid : A C6, straight-chain saturated fatty acid.	2.43	2	0	medium-chain fatty acid; straight-chain saturated fatty acid	human metabolite; plant metabolite
n-heptane Heptanes: Seven-carbon alkanes with the formula C7H16.. heptane : A straight-chain alkane with seven carbon atoms. It has been found in Jeffrey pine (Pinus jeffreyi).	2.07	1	0	alkane; volatile organic compound	non-polar solvent; plant metabolite
diphenhydramine hydrochloride Antitussive Agents: Agents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally.. diphenhydramine hydrochloride : The hydrochloride salt of diphenhydramine.	3.54	2	0	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
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.	2.01	1	0	dithiocarbamic acids	chelator; copper chelator
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.	3.51	1	0	catechin	antioxidant; plant metabolite
azulene [no description available]	2.15	1	0	azulenes; mancude carbobicyclic parent; ortho-fused bicyclic arene	plant metabolite; volatile oil component
cyclopentane Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution.	3.01	4	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
pyrazines Pyrazines: A heterocyclic aromatic organic compound with the chemical formula C4H4N2.. pyrazine : A diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms.	2.15	1	0	diazine; pyrazines	Daphnia magna metabolite
hydrazine diamine : Any polyamine that contains two amino groups.	2.03	1	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
estradiol 17 beta-cypionate [no description available]	2.11	1	0	steroid ester
evans blue Evans Blue: An azo dye used in blood volume and cardiac output measurement by the dye dilution method. It is very soluble, strongly bound to plasma albumin, and disappears very slowly.. Evans blue : An organic sodium salt that is the tetrasodium salt of 6,6'-{(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[diazene-2,1-diyl]}bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate). It is sometimes used as a counterstain, especially in fluorescent methods to suppress background autofluorescence.	2.6	1	0	organic sodium salt	fluorochrome; histological dye; sodium channel blocker; teratogenic agent
galantamine Galantamine: A benzazepine derived from norbelladine. It is found in GALANTHUS and other AMARYLLIDACEAE. It is a cholinesterase inhibitor that has been used to reverse the muscular effects of GALLAMINE TRIETHIODIDE and TUBOCURARINE and has been studied as a treatment for ALZHEIMER DISEASE and other central nervous system disorders.. galanthamine : A benzazepine alkaloid isolated from certain species of daffodils.	2.15	1	0	benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound	antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite
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.	2.11	1	0	bile acid; C24-steroid; monohydroxy-5beta-cholanic acid	geroprotector; human metabolite; mouse metabolite
jervine jervine: teratogen from Veratrum grandiflorum; RN given refers to parent cpd(3beta,23beta)-isomer; structure	2.11	1	0	piperidines
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.	2.98	4	0
fusarium Fusarium: A mitosporic Hypocreales fungal genus, various species of which are important parasitic pathogens of plants and a variety of vertebrates. Teleomorphs include GIBBERELLA.	2.79	3	0
boldine [no description available]	2.21	1	0	aporphine alkaloid
bicuculline Bicuculline: An isoquinoline alkaloid obtained from Dicentra cucullaria and other plants. It is a competitive antagonist for GABA-A receptors.. bicuculline : A benzylisoquinoline alkaloid that is 6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline which is substituted at the 5-pro-S position by a (6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl group. A light-sensitive competitive antagonist of GABAA receptors. It was originally identified in 1932 in plant alkaloid extracts and has been isolated from Dicentra cucullaria, Adlumia fungosa, Fumariaceae, and several Corydalis species.	2.11	1	0	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
salicylurate salicylurate: RN given refers to parent cpd. salicyluric acid : An N-acylglycine in which the acyl group is specified as 2-hydroxybenzoyl.. salicylurate : A monocarboxylic acid anion that is the conjugate base of salicyluric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.	2.11	1	0	N-acylglycine; secondary carboxamide	human xenobiotic metabolite; uremic toxin
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.	2.25	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).	9.71	27	0	botanical anti-fungal agent; p-menthane monoterpenoid; phenols	agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component
3,5-pyridinedicarboxylic acid 3,5-pyridinedicarboxylic acid: structure in first source	2.11	1	0	pyridinedicarboxylic acid
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
orcinol orcinol: used as reagent for pentoses, lignin, beet sugar, saccharoses, arabinose & diastase; RN given refers to parent cpd; structure. orcinol : A 5-alkylresorcinol in which the alkyl group is specified as methyl.	2.03	1	0	5-alkylresorcinol; dihydroxytoluene	Aspergillus metabolite
oleanolic acid [no description available]	2.01	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
ascaridole ascaridole: monoterpene endoperoxide with anthelmintic properties; structure given in first source. ascaridole : A p-menthane monoterpenoid that is p-menth-2-ene with a peroxy group across position 1 to 4.	3.87	3	0	organic heterobicyclic compound; organic peroxide; p-menthane monoterpenoid	antileishmanial agent; antinematodal drug; plant metabolite
abietic acid abietic acid : An abietane diterpenoid that is abieta-7,13-diene substituted by a carboxy group at position 18.	2.01	1	0	abietane diterpenoid; monocarboxylic acid	plant metabolite
myrtenol myrtenol: fragrance ingredient; structure in first source	2.1	1	0
podophyllotoxin Podophyllum: A genus of poisonous American herbs, family BERBERIDACEAE. The roots yield PODOPHYLLOTOXIN and other pharmacologically important agents. The plant was formerly used as a cholagogue and cathartic. It is different from the European mandrake, MANDRAGORA.	2.01	1	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
ricinine [no description available]	2.11	1	0	nitrile; pyridine alkaloid; pyridone
hemimellitene hemimellitene: structure. 1,2,3-trimethylbenzene : A trimethylbenzene carrying methyl groups at positions 1, 2 and 3. It has been found in Centaurium erythraea.	2.07	1	0	trimethylbenzene	neurotoxin; plant metabolite
chamazulene chamazulene: structure	2.46	2	0	sesquiterpenoid
perillyl alcohol perillyl alcohol: inhibits geranylgeranyl transferase; structure in first source. perillyl alcohol : A limonene monoterpenoid consists of a cyclohexene ring substituted by a hydroxymethyl and a prop-1-en-2-yl group at positions 1 and 4 respectively. It is a constituent of a variety of essential oils including lavender.	1.99	1	0	limonene monoterpenoid	plant metabolite; volatile oil component
carinamide [no description available]	2.11	1	0
3,5-dibromotyrosine 3,5-dibromotyrosine: used to synthesize various secondary metabolites from marine sponges	2.11	1	0	monocarboxylic acid
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.	2.48	2	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.	2.01	1	0	alkenyl alcohol; homoallylic alcohol; primary alcohol; volatile organic compound	plant metabolite
trinitrobenzenesulfonic acid Trinitrobenzenesulfonic Acid: A reagent that is used to neutralize peptide terminal amino groups.. 2,4,6-trinitrobenzenesulfonic acid : The arenesulfonic acid that is benzenesulfonic acid with three nitro substituents in the 2-, 4- and 6-positions.	2.44	2	0	arenesulfonic acid; C-nitro compound	epitope; explosive; reagent
hematoporphyrin Hematoporphyrins: Iron-free derivatives of heme with 4 methyl groups, 2 hydroxyethyl groups and 2 propionic acid groups attached to the pyrrole rings. Some of these PHOTOSENSITIZING AGENTS are used in the PHOTOTHERAPY of malignant NEOPLASMS.. hematoporphyrin : A dicarboxylic acid that is protoporphyrin in which the vinyl groups at positions 7 and 12 are replaced by 1-hydroxyethyl groups.	2.11	1	0
beta-phellandrene [no description available]	2.71	3	0	phellandrene	plant metabolite
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.	8.68	29	1	terpineol; tertiary alcohol	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiparasitic agent; apoptosis inducer; plant metabolite; volatile oil component
3-hydroxyflavone 3-hydroxyflavone: structure given in first source. flavonol : A monohydroxyflavone that is the 3-hydroxy derivative of flavone.	2.47	2	0	flavonols; monohydroxyflavone
terpinolene [no description available]	5.19	8	0	p-menthadiene	insect repellent; plant metabolite; sedative; volatile oil component
acetylcysteine N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine.	2.07	1	0	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
amyl acetate amyl acetate: sources do not specify n-isomer. pentyl acetate : An acetate ester of pentanol.	2.39	2	0	acetate ester	metabolite
isovanillic acid 3-hydroxy-4-methoxybenzoic acid : A methoxybenzoic acid that is 4-methoxybenzoic acid bearing a hydroxy substituent at position 3.	2.01	1	0	methoxybenzoic acid; monohydroxybenzoic acid	antibacterial agent; plant metabolite
n-methylpyrrolidone 1-methylpyrrolidin-2-one: structure in first source. N-methylpyrrolidin-2-one : A member of the class of pyrrolidine-2-ones that is pyrrolidin-2-one in which the hydrogen attached to the nitrogen is replaced by a methyl group.	2.25	1	0	lactam; N-alkylpyrrolidine; pyrrolidin-2-ones	polar aprotic solvent
1H-indazol-3-amine 1H-indazol-3-amine: structure in first source	2.11	1	0	indazoles
dichlofluanid dichlofluanid: structure. dichlofluanid : A member of the class of sulfamides that is sulfamide in which the hydrogens attached to one of the nitrogens are replaced by methyl groups, while those attached to the other nitrogen are replaced by a phenyl and a [dichloro(fluoro)methyl]sulfanediyl group. A fungicide introduced in 1965 and used in the cultivation of fruit and vegetables, as well as in wood preservatives, it is no longer approved for use in the European Union.	2.01	1	0	organochlorine compound; organofluorine compound; phenylsulfamide fungicide; sulfamides	acaricide; antifungal agrochemical
1,1'-methylenedi-2-naphthol 1,1'-methylenedi-2-naphthol: piscicide	2.11	1	0
undecane undecane : A straight-chain alkane with 11 carbon atoms.	2.58	2	0	alkane
fenchone, (+-)-isomer fenchone: RN given refers to cpd with unspecified isomeric designation. fenchone : A carbobicyclic compound that is fenchane in which the hydrogens at position 2 are replaced by an oxo group. It is a component of essential oil from fennel (Foeniculum vulgare).	2.53	2	0	carbobicyclic compound; cyclic terpene ketone; fenchane monoterpenoid	plant metabolite
zinc oxide Zinc Oxide: A mild astringent and topical protectant with some antiseptic action. It is also used in bandages, pastes, ointments, dental cements, and as a sunblock.	2.11	1	0	zinc molecular entity
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.	10.85	35	0	pinene	plant metabolite
tricarballylic acid tricarballylic acid: RN given refers to parent cpd. tricarballylic acid : A tricarboxylic acid that is glutaric acid in which one of the beta-hydrogens is substituted by a carboxy group.	2.11	1	0	tricarboxylic acid
sorbitan monostearate sorbitan monostearate: Stearic Acid was the HM (74-82), no longer an active MH	3.59	1	1
glycyrrhizic acid glycyrrhizinic acid : A triterpenoid saponin that is the glucosiduronide derivative of 3beta-hydroxy-11-oxoolean-12-en-30-oic acid.	2.05	1	0	enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin	EC 3.4.21.5 (thrombin) inhibitor; 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.	2.05	1	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
fenchol fenchol: RN given refers to cpd with unspecified isomeric designation	2.1	1	0
decane decane : A straight-chain alkane with 10 carbon atoms.	2.15	1	0	alkane
popop [no description available]	2.11	1	0	1,3-oxazoles	fluorochrome
tetrachloroisophthalonitrile tetrachloroisophthalonitrile: structure. chlorothalonil : A dinitrile that is benzene-1,3-dicarbonitrile substituted by four chloro groups. A non-systemic fungicide first introduced in the 1960s, it is used to control a range of diseases in a wide variety of crops.	2.01	1	0	aromatic fungicide; dinitrile; tetrachlorobenzene	antifungal agrochemical
2-tert-butylhydroquinone 2-tert-butylhydroquinone: an anticarcinogenic and chemopreventive agent. 2-tert-butylhydroquinone : A member of the class of hydroquinones in which one of the ring hydrogens of hydroquinone is replaced by a tert-butyl group.	2.11	1	0	hydroquinones	food antioxidant
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.	3.59	2	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
amiloride Amiloride: A pyrazine compound inhibiting SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS. This inhibition creates a negative potential in the luminal membranes of principal cells, located in the distal convoluted tubule and collecting duct. Negative potential reduces secretion of potassium and hydrogen ions. Amiloride is used in conjunction with DIURETICS to spare POTASSIUM loss. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p705). amiloride : A member of the class of pyrazines resulting from the formal monoacylation of guanidine with the carboxy group of 3,5-diamino-6-chloropyrazine-2-carboxylic acid.	1.97	1	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
7-hydroxychlorpromazine 7-hydroxychlorpromazine: RN given refers to parent cpd	2.11	1	0	phenothiazines
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.	2.44	2	0	aldehyde; olefinic compound	human metabolite; mouse metabolite; volatile oil component
diallyl disulfide diallyl disulfide: major constituent of garlic oil. diallyl disulfide : An organic disulfide where the organic group specified is allyl. It has been isolated from garlic and other species of the genus Allium.	2.31	1	0	organic disulfide	antifungal agent; antineoplastic agent; plant metabolite
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.	2.01	1	0	p-menthan-3-ol	antipruritic drug; antispasmodic drug; antitussive
fluorescein Fluorescein: A phthalic indicator dye that appears yellow-green in normal tear film and bright green in a more alkaline medium such as the aqueous humor.. fluorescein (lactone form) : A xanthene dye that is highly fluorescent, detectable even when present in minute quantities. Used forensically to detect traces of blood, in analytical chemistry as an indicator in silver nitrate titrations and in microscopy.	2.07	1	0	2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye	fluorescent dye; radioopaque medium
alpha-terpineol terpineol : A family of monoterpenols that have a p-menthane skeleton containing one double bond and bearing a single hydroxy substituent.	9.03	41	1	terpineol	plant metabolite
cme-carbodiimide [no description available]	2.11	1	0
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.	5.36	17	0	thujene	plant metabolite
cyclacillin Cyclacillin: A cyclohexylamido analog of PENICILLANIC ACID.	2.11	1	0	penicillin	antibacterial drug
cocamidopropyl betaine cocamidopropyl betaine: structure given in first source; Genagen CAB, Tego Betain, Rewoteric AMB 14 usually contain 30% cocamidopropyl betaine (CAPB). cocamidopropyl betaine : A mixture of carboxamidopropyl betaines derived from fatty acids of varying chain lengths. The principal component is lauramidopropyl betaine.. lauramidopropyl betaine : An ammonium betaine in which the the ammonium nitrogen is substituted by two methyl groups and a lauramidopropyl group. It is the major (>50%) component of cocamidopropyl betaine.	3.46	1	1	ammonium betaine	surfactant
strombine N-methyliminodiacetic acid: structure in first source	2.11	1	0
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.	14.74	61	3	cycloalkene; p-menthadiene	human metabolite
manganese Manganese: A trace element with atomic symbol Mn, atomic number 25, and atomic weight 54.94. It is concentrated in cell mitochondria, mostly in the pituitary gland, liver, pancreas, kidney, and bone, influences the synthesis of mucopolysaccharides, stimulates hepatic synthesis of cholesterol and fatty acids, and is a cofactor in many enzymes, including arginase and alkaline phosphatase in the liver. (From AMA Drug Evaluations Annual 1992, p2035). manganese(4+) : A manganese cation that is monoatomic and has a formal charge of +4.	1.98	1	0	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
neodymium Neodymium: An element of the rare earth family of metals. It has the atomic symbol Nd, atomic number 60, and atomic weight 144.24, and is used in industrial applications.	3.4	1	1	f-block element atom; lanthanoid atom
silver Silver: An element with the atomic symbol Ag, atomic number 47, and atomic weight 107.87. It is a soft metal that is used medically in surgical instruments, dental prostheses, and alloys. Long-continued use of silver salts can lead to a form of poisoning known as ARGYRIA.	2.13	1	0	copper group element atom; elemental silver	Escherichia coli metabolite
titanium Titanium: A dark-gray, metallic element of widespread distribution but occurring in small amounts with atomic number, 22, atomic weight, 47.867 and symbol, Ti; specific gravity, 4.5; used for fixation of fractures.	2.99	4	0	titanium group element atom
cadmium Cadmium: An element with atomic symbol Cd, atomic number 48, and atomic weight 112.41. It is a metal and ingestion will lead to CADMIUM POISONING.. elemental cadmium : An element in the zinc group of the periodic table with atomic number 48, atomic mass 112, M.P. 321degreeC, and B.P. 765degreeC). An odourless, tasteless, and highly poisonous soft, ductile, lustrous metal with electropositive properties. It has eight stable isotopes: (106)Cd, (108)Cd,(110)Cd, (111)Cd, (112)Cd, (113)Cd, (114)Cd and (116)Cd, with (112)Cd and (114)Cd being the most common.	1.99	1	0	cadmium molecular entity; zinc group element atom
yttrium Yttrium: An element of the rare earth family of metals. It has the atomic symbol Y, atomic number 39, and atomic weight 88.91. In conjunction with other rare earths, yttrium is used as a phosphor in television receivers and is a component of the yttrium-aluminum garnet (YAG) lasers.	3.4	1	1	d-block element atom; rare earth metal atom; scandium group element atom
galactosamine 2-amino-2-deoxy-D-galactopyranose : The pyranose form of D-galactosamine.. D-galactosamine : The D-stereoisomer of galactosamine.	2	1	0	D-galactosamine; primary amino compound	toxin
sodium nitrate sodium nitrate : The inorganic nitrate salt of sodium.	2.15	1	0	inorganic nitrate salt; inorganic sodium salt	fertilizer; NMR chemical shift reference compound
ferrous sulfate ferrous sulfate: Ferro-Gradumet is ferrous sulfate in controlled release form; RN given refers to Fe(+2)[1:1] salt. iron(2+) sulfate (anhydrous) : A compound of iron and sulfate in which the ratio of iron(2+) to sulfate ions is 1:1. Various hydrates occur naturally - most commonly the heptahydrate, which loses water to form the tetrahydrate at 57degreeC and the monohydrate at 65degreeC.	2.25	1	0	iron molecular entity; metal sulfate	reducing agent
deuterium Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus.	2.05	1	0	dihydrogen
chlorine Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family.	2.06	1	0	diatomic chlorine; gas molecular entity	bleaching agent
galactose aldohexose : A hexose with a (potential) aldehyde group at one end.	3.59	1	1
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.	2.02	1	0	elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen	antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer
trolamine salicylate Arthritis: Acute or chronic inflammation of JOINTS.	2.6	1	0
ammonium chloride Ammonium Chloride: An acidifying agent that has expectorant and diuretic effects. Also used in etching and batteries and as a flux in electroplating.. ammonium chloride : An inorganic chloride having ammonium as the counterion.	2.15	1	0	ammonium salt; inorganic chloride	ferroptosis inhibitor
titanium dioxide titanium dioxide: used medically as protectant against externally caused irritation & sunlight; high concentrations of dust may cause irritation to respiratory tract; RN given refers to titanium oxide (TiO2); structure. titanium dioxide : A titanium oxide with the formula TiO2. A naturally occurring oxide sourced from ilmenite, rutile and anatase, it has a wide range of applications.	2.41	1	0	titanium oxides	food colouring
3-carene 3-carene: RN given refers to cpd without isomeric designation	2.77	3	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).	3.58	8	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.	2.01	1	0
pizotyline Pizotyline: Serotonin antagonist used against MIGRAINE DISORDERS and vascular headaches.. pizotifen : A benzocycloheptathiophene that is 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene 4-ylidene)-1-methylpiperidine which is joined from the 4 position to the 4 position of an N-methylpiperidine moiety by a double bond. It is a sedating antihistamine, with strong serotonin antagonist and weak antimuscarinic activity. It is generally used as the malate salt for the treatment of migraine and the prevention of headache attacks during cluster periods.	2.11	1	0	benzocycloheptathiophene	histamine antagonist; muscarinic antagonist; serotonergic antagonist
tetradecanoylphorbol acetate Tetradecanoylphorbol Acetate: A phorbol ester found in CROTON OIL with very effective tumor promoting activity. It stimulates the synthesis of both DNA and RNA.. phorbol ester : Esters of phorbol, originally found in croton oil (from Croton tiglium, of the family Euphorbiaceae). A number of phorbol esters possess activity as tumour promoters and activate the mechanisms associated with cell growth. Some of these are used in experiments as activators of protein kinase C.. phorbol 13-acetate 12-myristate : A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of Croton tiglium. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types.	2.4	2	0	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator
fluorides [no description available]	4.06	3	1	halide anion; monoatomic fluorine
beta-selinene beta-selinene: isolated from aerial parts of Ligusticum chuanxiong; RN given for (4aR-(4aalpha,7alpha,8abeta))-isomer. (-)-beta-selinene : The (4aS,7S,8aR)-stereoisomer of beta-selinene.	2.45	2	0	beta-selinene
benomyl [no description available]	2.43	2	0	aromatic amide; benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	acaricide; anthelminthic drug; antifungal agrochemical; microtubule-destabilising agent; tubulin modulator
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.	2.47	2	0	carbobicyclic compound; cyclic ketone; enone
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.	2.49	2	0	benzenes; phenyl acetates
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.	2.1	1	0	phenols	fungal xenobiotic 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.	8.74	10	0	monoterpene	anabolic agent; anti-inflammatory agent; flavouring agent; fragrance; plant metabolite; volatile oil component
isoamyl acetate isoamyl acetate: structure in Merck, 9th ed, #4958. isoamyl acetate : The acetate ester of isoamylol.	3.38	7	0	acetate ester	metabolite; Saccharomyces cerevisiae metabolite
thymolphthalein Thymolphthalein: Used as a pH indicator and as a reagent for blood after decolorizing the alkaline solution by boiling with zinc dust.	2.11	1	0	terpene lactone
tetrachloroethylene Tetrachloroethylene: A chlorinated hydrocarbon used as an industrial solvent and cooling liquid in electrical transformers. It is a potential carcinogen.	2.06	1	0	chlorocarbon; chloroethenes	nephrotoxic agent
1,4,5,8-naphthalenetetracarboxylic acid 1,4,5,8-naphthalenetetracarboxylic acid: structure given in first source	2.11	1	0
2-isobutyl-3-methoxypyrazine [no description available]	2.15	1	0
(7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione [no description available]	2.11	1	0	anthracycline
alkenes [no description available]	3.31	6	0
hydroxyphenylazouracil Hydroxyphenylazouracil: Inhibitor of DNA replication in gram-positive bacteria.	2.11	1	0
canadine canadine: RN given refers to cpd without isomeric designation; structure. canadine : A berberine alkaloid that is 5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline substituted by methoxy groups at positions 9 and 10.	2.11	1	0	aromatic ether; berberine alkaloid; organic heteropentacyclic compound; oxacycle
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.	2.42	2	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
substance p [no description available]	3.79	2	1	peptide	neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent
ng-nitroarginine methyl ester NG-Nitroarginine Methyl Ester: A non-selective inhibitor of nitric oxide synthase. It has been used experimentally to induce hypertension.	2.76	3	0	alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
deoxynivalenol deoxynivalenol : A trichothecene mycotoxin produced by Fusarium to which wheat, barley, maize (corn) and their products are susceptible to contamination.	2.07	1	0	cyclic ketone; enone; primary alcohol; secondary alpha-hydroxy ketone; trichothecene; triol	mycotoxin
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid [no description available]	2.15	1	0	chromanol; monocarboxylic acid; phenols	antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor
laurocapram laurocapram: enhances percutaneous absorption of different chemicals; structure given in first source	3.14	5	0
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.	1.98	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
pimonidazole pimonidazole: structure given in first source	2.11	1	0
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.	2.1	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.	2.41	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
flavone acetic acid flavone acetic acid: structure given in first source	2.11	1	0
valsartan Valsartan: A tetrazole derivative and ANGIOTENSIN II TYPE 1 RECEPTOR BLOCKER that is used to treat HYPERTENSION.. valsartan : A monocarboxylic acid amide consisting of L-valine in which the amino hydrogens have been replaced by a pentanoyl and a [2'-(1H-tetrazol-5-yl)biphenyl]-4-yl]methyl group. It exhibits antihypertensive activity.	7.5	2	0	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
zolmitriptan zolmitriptan: an antimigraine compound; a serotonin (5HT)-1D receptor agonist. zolmitriptan : A member of the class of tryptamines that is N,N-dimethyltryptamine in which the hydrogen at position 5 of the indole ring has been replaced by a [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl group. A serotonin 5-HT1 B and D receptor agonist, it is used for the treatment of migraine.	2.06	1	0	oxazolidinone; tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
adenosine quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit	2.01	1	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
myrtenal myrtenal: RN refers to cpd without isomeric designation; structure given in first source	2.79	3	0
1-octen-3-one 1-octen-3-one: structure in first source	2.41	1	0	olefinic compound
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	2.41	1	0	p-menthane monoterpenoid
trichlorophene trichlorophene: contains 20 carbon atoms; do not confuse with trichlorophene as name for trichloro derivs of 2,2'-methylenebisphenol (contain 13 carbon atoms)	2.11	1	0
verapamil hydrochloride verapamil hydrochloride : A racemate comprising equimolar amounts of dexverapamil hydrochloride and (S)-verapamil hydrochloride.	2.11	1	0
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.	3.67	9	0	D-glucopyranose	epitope; mouse metabolite
ursolic acid [no description available]	2.01	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	geroprotector; plant metabolite
oseltamivir Oseltamivir: An acetamido cyclohexene that is a structural homolog of SIALIC ACID and inhibits NEURAMINIDASE.. oseltamivir : A cyclohexenecarboxylate ester that is the ethyl ester of oseltamivir acid. An antiviral prodrug (it is hydrolysed to the active free carboxylic acid in the liver), it is used to slow the spread of influenza.	2.15	1	0	acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic
allicin [no description available]	3.12	1	0	botanical anti-fungal agent; sulfoxide	antibacterial agent
fluorophosphate fluorophosphate: inhibits Phosphorylas phosphatase irreversibly; RN given refers to parent cpd	2	1	0	fluorine molecular entity; phosphoric acid derivative
4-aminomethylbenzoic acid [no description available]	2.11	1	0	benzoic acids
cedrol cedrol: a cyclic terpenoid from cedarwood oil; 8-epicedrol is an epimer	2.11	1	0	cedrane sesquiterpenoid; tertiary alcohol
propazole propazole: RN given refers to parent cpd; structure	2.11	1	0	benzimidazoles
reserpic acid reserpic acid: inhibitor of norepinephrine transport into chromaffin vesicle ghosts; RN given refers to (3beta,16beta,17alpha,18beta,20alpha)-isomer parent cpd; structure given in first source	2.11	1	0	yohimban alkaloid
pifexole pifexole: structure	2.11	1	0
Diphenolic acid diphenolic acid: an estrogenic ligand	2.11	1	0	bisphenol
shd 415g Femovan: drug combination consisting of gestodene and ethinyl estradiol	1.99	1	0
apaflurane [no description available]	2.46	2	0
Melicopidine [no description available]	2.11	1	0	acridines
artemisia ketone artemisia ketone: structure in first source	2.48	2	0
artemisinin (+)-artemisinin : A sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria.	3.81	2	1	organic peroxide; sesquiterpene lactone	antimalarial; plant metabolite
resorufin [no description available]	2.11	1	0	phenoxazine
vinburnine [no description available]	2.11	1	0	alkaloid
betulin betulin: isolated from various white birch bark (BETULA). betulin : A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents.	2.01	1	0	diol; pentacyclic triterpenoid	analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite
polygodial [no description available]	1.98	1	0	aldehyde
pacein PAcein: structure. pacein : A member of the class of benzofurans that is dibenzo[b,d]furan-3,7-dione bearing two methyl substituents at positions 1 and 9 as well as two 2,4-dihydroxy-6-methylanilino substituents at positions 2 and 8.. orcein : A variable mixture of several compounds isolated from lichens, the eight most abundant being alpha-aminoorcein, alpha-hydroxyorcein, beta-aminoorcein, gamma-aminoorcein, beta-hydroxyorcein, gamma-hydroxyorcein, beta-aminoorceimine and beta-aminoorceimine (all are phenoxazine-based). It is used for the demonstration of elastic fibres as well as to stain the rough endoplasmic reticulum of hepatitis B infected liver cells.	2.11	1	0
alantolactone alantolactone: allergenic sesquiterpene lactone; crystalline mixture of alantolactones from group of sesquiterpenes; structure. alantolactone : A sesquiterpene lactone that is 3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2-one bearing two methyl substituents at positions 5 and 8a as well as a methylidene substituent at position 3.	2.11	1	0	naphthofuran; olefinic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; plant metabolite
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide 2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide: structure	2.11	1	0
tetrandrine tetrandrine: a bisbenzylisoquinoline that exhibits antifibrogenic activity	2.11	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
stictic acid stictic acid: antioxidant from lichen, Usnea articulata; structure in first source	2.11	1	0	aromatic ether
gallocyanine gallocyanine: structure; gallocyanine-chrome alum is used as a nuclear stain to quantitate nucleic acids. gallocyanin : An organic chloride salt composed of 1-carboxy-7-(dimethylamino)-3,4-dihydroxyphenoxazin-5-ium and chloride ions in a 1:1 ratio. A histological dye used in solution with an iron alum mordant as a hematoxylin substitute in the H&E stain.	2.11	1	0
oxazolidin-2-one Oxazolidinones: Derivatives of oxazolidin-2-one. They represent an important class of synthetic antibiotic agents.. oxazolidin-2-one : An oxazolidinone that is 1,3-oxazolidine with an oxo substituent at position 2.. oxazolidinone : An oxazolidine containing one or more oxo groups.	2.06	1	0	carbamate ester; oxazolidinone	metabolite
citronellal, (r)-isomer (R)-(+)-citronellal : The (3R)-stereoisomer of 3,7-dimethyloct-6-enal (citronellal).	2.73	3	0	citronellal
propylsulfonic acid propylsulfonic acid: RN given refers to cpd without locant for propyl moiety	2.11	1	0
clotiazepam 2-carene: a monoterpene; structure in first source	2.59	2	0	monoterpenoid
1-cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide N-cyclohexyl-N'-(2-(4-morpholinyl)ethyl)carbodiimide : A carbodiimide having cyclcohexyl and 2-(4-morpholinyl)ethyl as the two N-substituents.	2.11	1	0	carbodiimide; morpholines	cross-linking reagent
6,6'-dithiodinicotinic acid 6,6'-dithiodinicotinic acid: RN given refers to parent cpd; structure	2.11	1	0
cyprodinil cyprodinil: structure in first source. cyprodinil : A member of the class of aminopyrimidine that is N-phenylpyrimidin-2-amine carrying additional cyclopropyl and methyl substituents at positions 4 and 6 respectively. A broad spectrum fungicide used to control a range of pathogens including Tapesia yallundae, Botrytis spp., Alternaria spp. and Rhynchospium secalis. Whilst it is a recognised irritant no serious human health concerns have been identified. It is moderately toxic to birds as well as most aquatic organisms and earthworms, but it is not considered toxic to honeybees.	2.03	1	0	aminopyrimidine; anilinopyrimidine fungicide; cyclopropanes; secondary amino compound	antifungal agrochemical; aryl hydrocarbon receptor agonist; environmental contaminant; xenobiotic
va 061 VA 061: a water-soluble radical initiator; structure in first source	2.11	1	0
n-acetyltyrosine, (dl)-isomer N-acetyltyrosine: RN given refers to (L)-isomer. N-acetyltyrosine : An N-acetyl-amino acid that is tyrosine with an amine hydrogen substituted by an acetyl group.	2.11	1	0	N-acetyl-amino acid; phenols; tyrosine derivative	human urinary metabolite
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.	2.73	3	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
nsc-172755 butocin: S-substituted analog of mercaptopurine which functions as a cytostatic agent; minor descriptor (75-85); on-line search 6-MERCAPTOPURINE/AA (75-84); Index Medicus search MERCAPTOPURINE/analogs (75-84)	2.25	1	0
cinchonine [no description available]	2.11	1	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
sennoside B sennoside B : A member of the class of sennosides that is (9R,9'S)-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid which is substituted by hydroxy groups at positions 4 and 4', by beta-D-glucopyranosyloxy groups at positions 5 and 5', and by oxo groups at positions 10 and 10'.	2.01	1	0	oxo dicarboxylic acid; sennosides
beta-thujone [no description available]	4.08	14	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).	2.99	4	0	carbobicyclic compound; eudesmane sesquiterpenoid; tertiary alcohol	volatile oil component
vinblastine sobrerol: RN given is for parent cpd; structure	1.99	1	0	p-menthane monoterpenoid
camphane camphane: structure given in first source	2.06	1	0	monoterpene; terpenoid fundamental parent
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.	2.08	1	0	olefinic compound; sesquiterpenoid; tertiary alcohol	fragrance; plant metabolite
n(6)-(delta(2)-isopentenyl)adenine N(6)-dimethylallyladenine : A 6-isopentenylaminopurine in which has the isopentenyl double bond is located between the 2 and 3 positions of the isopentenyl group.	2.11	1	0	6-isopentenylaminopurine	cytokinin
2-Phthalimidoglutaricacid [no description available]	2.11	1	0	glutamic acid derivative
spathulenol [no description available]	2.1	1	0	carbotricyclic compound; olefinic compound; sesquiterpenoid; tertiary alcohol	anaesthetic; plant metabolite; vasodilator agent; volatile oil component
nsc-87877 NSC-87877: potent Shp2 (nonreceptor protein tyrosine phosphatase) inhibitor; structure in first source	2.11	1	0
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
nepetalactone nepetalactone: RN given for (4aS-(4aalpha,7alpha,7aalpha))-isomer; structure in first source. trans-cis-nepetalactone : A cyclopentapyran that is (4aS,7aS)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by an oxo group and at positions 4 and 7 by methyl groups, respectively (the 4aS,7S,7aS-diastereomer). An iridoid monoterpenoid isolated from several Nepeta plant species. It exhibits potent repellant activity against house dust mites and mosquitoes.	2.77	3	0
androstan-3-ol [no description available]	2.03	1	0	3-hydroxy steroid	androgen
methyl lithocholate methyl lithocholate: RN given refers to (3alpha,5beta)-isomer	2.11	1	0
nipecotic acid amide nipecotic acid amide: RN & N1 form 9th CI Form Index; RN given refers to cpd without isomeric designation. nipecotamide : The amide resulting from the formal condensation of nipecotic acid with ammonia.	2.11	1	0	piperidinecarboxamide
sabinyl acetate sabinyl acetate: present in essential oils; RN given refers to cpd without isomeric designation	2.05	1	0
dimethacrine dimethacrine: minor descriptor (75-84); on-line & Index Medicus search ACRIDINES (75-84); RN given refers to parent cpd without isomeric designation	2.11	1	0	acridines
dehydroabietic acid dehydroabietic acid: major aquatic toxicant in effluent of pulp and paper mills. dehydroabietic acid : An abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group.. dehydroabietate : A monocarboxylic acid anion that is the conjugate base of dehydroabietic acid, obtained by deprotonation of the carboxy group.	2.11	1	0	abietane diterpenoid; carbotricyclic compound; monocarboxylic acid	allergen; metabolite
glucuronic acid Glucuronic Acid: A sugar acid formed by the oxidation of the C-6 carbon of GLUCOSE. In addition to being a key intermediate metabolite of the uronic acid pathway, glucuronic acid also plays a role in the detoxification of certain drugs and toxins by conjugating with them to form GLUCURONIDES.. D-glucuronic acid : The D-enantiomer of glucuronic acid.. D-glucopyranuronic acid : A D-glucuronic acid in cyclic pyranose form.	2.43	2	0	D-glucuronic acid	algal metabolite
4-deoxypyridoxine 5'-phosphate [no description available]	2.11	1	0
4-(phenylthio)butanoic acid 4-(phenylthio)butanoic acid: structure in first source	2.11	1	0
bis-a-tda bis-A-TDA: structure given in first source	2.11	1	0
1-amino-2-phenylethylphosphonic acid 1-amino-2-phenylethylphosphonic acid: RN given refers to cpd without isomeric designation: structure given in first source	2.11	1	0
4-fluoro-alpha-hydroxybenzeneacetic acid 4-fluoro-alpha-hydroxybenzeneacetic acid: an aprepitant urinary metabolite; structure in first source	2.11	1	0
Isopteropodin [no description available]	2.11	1	0	indolizines
benzpiperylone benzpiperylone: spelled benzopiperylone in title	2.11	1	0	pyrazoles; ring assembly
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.	2.11	1	0	carbobicyclic compound; pinane monoterpenoid; secondary alcohol	GABA modulator; mouse metabolite; plant metabolite; volatile oil component
p-methoxy-n-methylphenethylamine p-Methoxy-N-methylphenethylamine: A potent mast cell degranulator. It is involved in histamine release.. N,O-dimethyltyramine : A secondary amino compound that is tyramine in which the hydrogen of the phenolic hydroxy group has been replaced by a methyl group.	2.4	2	0	aromatic ether; secondary amino compound	metabolite
carboxyamido-triazole carboxyamido-triazole: structure given in first source; coccidiostat; U.S. patent No. 4,590,201	2.11	1	0
terpinyl acetate terpinyl acetate: ingredient in perfume of spray starch causing contact urticaria	3.2	5	0	p-menthane monoterpenoid
listerine Listerine: hydroalcohol solution containing thymol, menthol, eucalyptol, methyl salicylate & alcohol	4.72	3	2
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.	2.01	1	0	fatty acid anion 8:0; straight-chain saturated fatty acid anion	human metabolite; Saccharomyces cerevisiae metabolite
carboxypolymethylene carbomer: high molecular polyanionic substance	2.05	1	0
nsc 607097 [no description available]	2.11	1	0
pacifenol pacifenol: isolated from sea weeds and marine alga Laurencia claviformis; RN refers to (2R,5R,5aR,7S,8S,9aS)-isomer; structure in first source	2.11	1	0
methotrexate [no description available]	2.03	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
omega-n-methylarginine omega-N-Methylarginine: A competitive inhibitor of nitric oxide synthetase.. N(omega)-methyl-L-arginine : A L-arginine derivative with a N(omega)-methyl substituent.	1.99	1	0	amino acid zwitterion; arginine derivative; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid
n-phenyliminodiacetic acid [no description available]	2.11	1	0
phytol [no description available]	3.73	2	0
borneo Borneo: An island in the Malay Archipelago, east of Sumatra, north of Java, and west of Celebes. It is the third largest island in the world. Its name is a Portuguese alteration of BRUNEI, located on it. (From Webster's New Geographical Dictionary, 1988, p163; Room, Brewer's Dictionary of Names, 1992, p73)	2.06	1	0	organofluorine acaricide
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.	2.57	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.	2.52	2	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.	4.04	4	0	camphor
cyc 202 seliciclib : 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors.	2.11	1	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
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
ag 3-5 icilin: a cooling compound that activates TRPM8	3.12	1	0	C-nitro compound
chrysanthenyl acetate chrysanthenyl acetate: structure given in first source	2.79	3	0
cystamine hydrochloride [no description available]	2.11	1	0
grandisol grandisol: major component of the four synergistic cpds of male boll weevil pheromone	2.11	1	0
isopulegol isopulegol: isolated from Mentha cardiaca structure in first source	2.48	2	0	p-menthane monoterpenoid	metabolite
dipiperidinoethane-di-n-oxide dipiperidinoethane-di-N-oxide: oxidized neurotoxic dipiperidinoethane deriv; structure given in first source	2.11	1	0
atropine tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate : A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3.	2.01	1	0
aromadendrene aromadendrene: do not confuse with aromadendrin	2.77	3	0	sesquiterpenoid
cyperin cyperin: a phytotoxin; structure in first source	2.05	1	0	aromatic ether
benzyl-beta-d-xyloside benzyl-beta-D-xyloside: RN given refers to (beta-D)-isomer	2.11	1	0
2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid [no description available]	2.11	1	0	dicarboxylic acid
2,4-dinitrophenylacetic acid 2,4-dinitrophenylacetic acid: RN given refers to parent cpd	2.11	1	0
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.	2.11	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol	anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor
(5-Phenyl-1,2,4-triazol-3-yl)urea [no description available]	2.11	1	0	benzenes
deoxycholic acid Deoxycholic Acid: A bile acid formed by bacterial action from cholate. It is usually conjugated with glycine or taurine. Deoxycholic acid acts as a detergent to solubilize fats for intestinal absorption, is reabsorbed itself, and is used as a choleretic and detergent.. deoxycholic acid : A bile acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively.	2.05	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human blood serum metabolite
fumagillol fumagillol: from Penicillium jensenii; FR 65814 is an analog; structure given in first source. fumagillol : A sesquiterpenoid with antimicrobial properties.	2.11	1	0	secondary alcohol; sesquiterpenoid; spiro-epoxide	antimicrobial agent
cortisone [no description available]	2	1	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
vacquinol-1 [no description available]	2.11	1	0
aspidospermine aspidospermine: an indole fused to a qunoline; isolated from Aspidosperma tree; structure given in first source. aspidospermine : An indole alkaloid having the structure of aspirospermidine methoxylated at C-17 and acetylated at N-1.	2.11	1	0	indole alkaloid
guaiol guaiol: structure in first source	2.11	1	0	guaiane sesquiterpenoid
lilial [no description available]	2.01	1	0
5-hydroxymethylfurfural 5-hydroxymethylfurfural: has antisickling activity; HMF is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. 5-hydroxymethylfurfural : A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo.	2.21	1	0	arenecarbaldehyde; furans; primary alcohol	indicator; Maillard reaction product
benzatropine methanesulfonate [no description available]	2.11	1	0
pseudoyohimbine [no description available]	2.11	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate
gant58 GANT58: inhibits hedgehog signalling; structure in first source	2.11	1	0	pyridines
benzofurans Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring.	2.45	2	0
nsc 88915 4-pregnen-21-ol-3,20-dione-21-(4-bromobenzenesufonate): a tyrosyl-DNA phosphodiesterase inhibitor; structure in first source	2.11	1	0
o-acetylsolasodine [no description available]	2.11	1	0
viroallosecurinine [no description available]	2.11	1	0	indolizines
4-methyl-2-quinazolinamine 4-methyl-2-quinazolinamine: from Streptomyces of TCM plant; structure in first source	2.11	1	0
1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid 1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid: inhibits PH domain leucine-rich repeat protein phosphatase; structure in first source	2.11	1	0
adamantoylcytarabine adamantoylcytarabine: RN given refers to parent cpd; structure in Negwer, 5th ed, #4393	2.11	1	0
6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester [no description available]	2.11	1	0	naphthalenes
noscapine Noscapine: A naturally occurring opium alkaloid that is a centrally acting antitussive agent.. (-)-noscapine : A benzylisoquinoline alkaloid that is 1,2,3,4-tetrahydroisoquinoline which is substituted by a 4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl group at position 1, a methylenedioxy group at positions 6-7 and a methoxy group at position 8. Obtained from plants of the Papaveraceae family, it lacks significant painkilling properties and is primarily used for its antitussive (cough-suppressing) effects.	2.11	1	0	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite
LSM-1290 [no description available]	2.11	1	0	benzazepine alkaloid; cyclic acetal
2-glycineamide-5-chlorophenyl-2-pyrryl ketone [no description available]	2.11	1	0
nsc 154020 [no description available]	2.11	1	0	N-glycosyl compound
4-[(1-naphthalenylamino)-oxomethyl]benzene-1,3-dicarboxylic acid [no description available]	2.11	1	0	2-hydroxyisophthalic acid
2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one 2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one: structure in first source	2.11	1	0	cyclic ketone; quinuclidines
menthofuran menthofuran: RN given refers to cpd without isomeric designation; derives from cyclization of pulegone. menthofuran : A monoterpenoid that is 4,5,6,7-tetrahydro-1-benzofuran substituted by methyl groups at positions 3 and 6.	2.05	1	0	1-benzofurans; monoterpenoid	nematicide; plant metabolite
5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine [no description available]	2.11	1	0	benzodioxoles
croton factor f1 croton factor F1: induces ornithine decarboxylase activity; structure given in first source. 16-hydroxyphorbol 13-decanoate 12-palmitate : A phorbol ester that consists of 16-hydroxyphorbol bearing O-hexadecanoyl (palmitoyl) and O-decanoyl substituents at position 12 and 13 respectively.	2.11	1	0	phorbol ester; tertiary alpha-hydroxy ketone
medicarpin (-)-medicarpin : The (-)-enantiomer of medicarpin.	2.11	1	0	medicarpin	plant metabolite
gitoxigenin gitoxigenin: structure	2.11	1	0	14beta-hydroxy steroid; 16beta-hydroxy steroid; 3beta-hydroxy steroid
aromoline aromoline: from roots of Stephania cepharantha; structure given in first source	2.11	1	0
piperitenone piperitenone: structure given in first source	2.17	1	0	p-menthadien-3-one
nsc668394 [no description available]	2.11	1	0
gant 61 GANT 61: a sonic hedgehog pathway inhibitor and Gli inhibitor; structure in first source. GANT61 : An aminal that is hexahydropyrimidine which is substituted on each nitrogen by a 2-(dimethylamino)benzyl group, and at the aminal carbon by a pyridin-4-yl group. A Hedgehog signaling pathway and Gli protein inhibitor.	2.11	1	0	aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound	antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor
naringenin (S)-naringenin : The (S)-enantiomer of naringenin.	2.01	1	0	(2S)-flavan-4-one; naringenin	expectorant; plant metabolite
inositol 1,4,5-trisphosphate Inositol 1,4,5-Trisphosphate: Intracellular messenger formed by the action of phospholipase C on phosphatidylinositol 4,5-bisphosphate, which is one of the phospholipids that make up the cell membrane. Inositol 1,4,5-trisphosphate is released into the cytoplasm where it releases calcium ions from internal stores within the cell's endoplasmic reticulum. These calcium ions stimulate the activity of B kinase or calmodulin.	2.01	1	0	myo-inositol trisphosphate	mouse metabolite
ouabain Ouabain: A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE.. cardiac glycoside : Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles.. ouabain : A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus.	2.39	2	0	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
salicin [no description available]	2.03	1	0	aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
nitroarginine Nitroarginine: An inhibitor of nitric oxide synthetase which has been shown to prevent glutamate toxicity. Nitroarginine has been experimentally tested for its ability to prevent ammonia toxicity and ammonia-induced alterations in brain energy and ammonia metabolites. (Neurochem Res 1995:200(4):451-6). N(gamma)-nitro-L-arginine : An L-arginine derivative that is L-arginine in which the terminal nitrogen of the guanidyl group is replaced by a nitro group.	1.99	1	0	guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid
(+)-limonene (4R)-limonene : An optically active form of limonene having (4R)-configuration.	3.12	5	0	limonene	plant metabolite
arbutin hydroquinone O-beta-D-glucopyranoside : A monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage.	3.58	2	0	beta-D-glucoside; monosaccharide derivative	Escherichia coli metabolite; 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).	2.52	2	0	cadinene; delta-cadinene
nortriptyline hydrochloride [no description available]	2.11	1	0	organic tricyclic compound	geroprotector
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).	2.13	1	0
chrysanthenone chrysanthenone: in oil of leaves of the Ethiopian plant Laggera tomentosa (Asteraceae); used in perfumery & toothpaste; structure in first source	2.45	2	0	monoterpenoid
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.	2.95	4	0	alpha-terpineol	plant metabolite
n-formylmethionine leucyl-phenylalanine N-Formylmethionine Leucyl-Phenylalanine: A formylated tripeptide originally isolated from bacterial filtrates that is positively chemotactic to polymorphonuclear leucocytes, and causes them to release lysosomal enzymes and become metabolically activated.. N-formyl-L-methionyl-L-leucyl-L-phenylalanine : A tripeptide composed of L-Met, L-Leu and L-Phe in a linear sequence with a formyl group at the amino terminus. It acts as a potent inducer of leucocyte chemotaxis and macrophage activator as well as a ligand for the FPR receptor.	2	1	0	tripeptide
betadex beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds.	2.52	2	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	2.44	2	0	cinnamic acid	plant metabolite
arachidonic acid icosa-5,8,11,14-tetraenoic acid : Any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 14.. arachidonate : A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid.	8.28	6	0	icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid	Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite
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.	2.48	2	0	farnesol	plant metabolite
1,2-dilauroylphosphatidylcholine 1,2-dilauroylphosphatidylcholine: RN given refers to cpd without isomeric designation. 1,2-dilauroyl-sn-glycero-3-phosphocholine(1+) : A A 1,2-diacyl-sn-glycero-3-phosphocholine(1+) that is the dilauroyl diester of phosphatidiylcholine.	2.13	1	0	1,2-diacyl-sn-glycero-3-phosphocholine(1+)
oleic acid Oleic Acid: An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed). oleic acid : An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry.	3.85	11	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
geranyl pyrophosphate geranyl pyrophosphate: RN given refers to (E)-isomer. geranyl diphosphate : The diphosphate of the polyprenol compound geraniol.	1.98	1	0	polyprenyl diphosphate	Escherichia coli metabolite; mouse metabolite
cocaine Cocaine: An alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. Cocaine, like amphetamines, acts by multiple mechanisms on brain catecholaminergic neurons; the mechanism of its reinforcing effects is thought to involve inhibition of dopamine uptake.. cocaine : A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca.	2.42	2	0	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic
thapsigargin Thapsigargin: A sesquiterpene lactone found in roots of THAPSIA. It inhibits SARCOPLASMIC RETICULUM CALCIUM-TRANSPORTING ATPASES.. thapsigargin : An organic heterotricyclic compound that is a hexa-oxygenated 6,7-guaianolide isolated fron the roots of Thapsia garganica L., Apiaceae. A potent skin irritant, it is used in traditional medicine as a counter-irritant. Thapsigargin inhibits Ca(2+)-transporting ATPase mediated uptake of calcium ions into sarcoplasmic reticulum and is used in experimentation examining the impacts of increasing cytosolic calcium concentrations.	2	1	0	butyrate ester; organic heterotricyclic compound; sesquiterpene lactone	calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
mupirocin Mupirocin: A topically used antibiotic from a strain of Pseudomonas fluorescens. It has shown excellent activity against gram-positive staphylococci and streptococci. The antibiotic is used primarily for the treatment of primary and secondary skin disorders, nasal infections, and wound healing.. mupirocin : An alpha,beta-unsaturated ester resulting from the formal condensation of the alcoholic hydroxy group of 9-hydroxynonanoic acid with the carboxy group of (2E)-4-[(2S)-tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoic acid in which the tetrahydropyranyl ring is substituted at positions 3 and 4 by hydroxy groups and at position 5 by a {(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl group. Originally isolated from the Gram-negative bacterium Pseudomonas fluorescens, it is used as a topical antibiotic for the treatment of Gram-positive bacterial infections.	2.57	2	0	alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol	antibacterial drug; bacterial metabolite; protein synthesis inhibitor
adenosine-5'-(n-ethylcarboxamide) Adenosine-5'-(N-ethylcarboxamide): A stable adenosine A1 and A2 receptor agonist. Experimentally, it inhibits cAMP and cGMP phosphodiesterase activity.. N-ethyl-5'-carboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by an N-ethylcarboxamido group.	2.01	1	0	adenosines; monocarboxylic acid amide	adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
thymopentin Thymopentin: Synthetic pentapeptide corresponding to the amino acids 32-36 of thymopoietin and exhibiting the full biological activity of the natural hormone. It is an immunomodulator which has been studied for possible use in the treatment of rheumatoid arthritis, AIDS, and other primary immunodeficiencies.	2.07	1	0	oligopeptide
gamma-sitosterol clionasterol : A member of the class of phytosterols that is poriferast-5-ene carrying a beta-hydroxy substituent at position 3.	2.08	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols	marine metabolite; plant metabolite
sodium benzoate Sodium Benzoate: The sodium salt of BENZOIC ACID. It is used as an antifungal preservative in pharmaceutical preparations and foods. It may also be used as a test for liver function.. sodium benzoate : An organic sodium salt resulting from the replacement of the proton from the carboxy group of benzoic acid by a sodium ion.	2.03	1	0	organic sodium salt	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
davanone davanone: antifungal and antispasmodic isolated from natural Davana oil and Artemisia pallens; structure in first source	2.99	4	0	oxolanes
cubenol cubenol: from callus cultures of Chamomilla recutita (Asteraceae)	2.13	1	0
nsc 45641 [no description available]	2.11	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.	3.37	6	0
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.	4.85	10	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.	2.51	2	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.	2.42	2	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.	2.71	3	0	anethole	flavouring agent
geraniol [no description available]	4.04	14	0	3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol	allergen; fragrance; plant metabolite; volatile oil component
glycosides [no description available]	2.15	1	0
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.	9.15	15	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.	2.69	3	0	ionone	antioxidant; fragrance
piperine piperine : A N-acylpiperidine that is piperidine substituted by a (1E,3E)-1-(1,3-benzodioxol-5-yl)-5-oxopenta-1,3-dien-5-yl group at the nitrogen atom. It is an alkaloid isolated from the plant Piper nigrum.	3.12	1	0	benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide	food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite
mintlactone mintlactone: isolated from Mentha cardiaca structure in first source	2.31	1	0
aconitic acid cis-aconitic acid : The cis-isomer of aconitic acid.	2.11	1	0	aconitic acid	fundamental metabolite
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.	2.1	1	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.	2.41	1	0	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite
arginine vasopressin Arginine Vasopressin: The predominant form of mammalian antidiuretic hormone. It is a nonapeptide containing an ARGININE at residue 8 and two disulfide-linked cysteines at residues of 1 and 6. Arg-vasopressin is used to treat DIABETES INSIPIDUS or to improve vasomotor tone and BLOOD PRESSURE.. argipressin : The predominant form of mammalian vasopressin (antidiuretic hormone). It is a nonapeptide containing an arginine at residue 8 and two disulfide-linked cysteines at residues of 1 and 6.	2.01	1	0	vasopressin	cardiovascular drug; hematologic agent; mitogen
amygdalin [no description available]	2.11	1	0
polidocanol Polidocanol: An alkyl polyglycol ether of LAURYL ALCOHOL, chemically defined as an alcohol ethoxylate having an average alkyl chain of 12–14 carbon atoms, and an ethylene oxide chain of 9 ethylene oxide units. It is used as a detergent, and medically as a local anesthetic, and as a sclerosing agent for the treatment of ESOPHAGEAL AND GASTRIC VARICES and VARICOSE VEINS.. polidocanol : A hydroxypolyether that is nonaethylene glycol in which one of the terminal hydroxy functions is substituted by a lauryl (dodecyl) group.	2	1	0	hydroxypolyether	hepatotoxic agent; nonionic surfactant; sclerotherapy agent
nsc 4347 NSC 4347: structure in first source	2.13	1	0
n(6)-cyclopentyladenosine [no description available]	2.01	1	0
sesquiterpenes [no description available]	7.88	54	1
caffeic acid trans-caffeic acid : The trans-isomer of caffeic acid.	2.01	1	0	caffeic acid	geroprotector; mouse metabolite
alpha-phenylcinnamate alpha-phenylcinnamate: RN given refers to parent cpd	2.11	1	0
3-(3,4-dimethoxyphenyl)propenoic acid 3-(3,4-dimethoxyphenyl)propenoic acid: structure given in first source; RN given refers to parent cpd. 3,4-dimethoxycinnamic acid : A methoxycinnamic acid that is trans-cinnamic acid substituted by methoxy groups at positions 3' and 4' respectively.	2.01	1	0	methoxycinnamic acid
3-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]-1H-benzimidazole-2-thione [no description available]	2.01	1	0	benzimidazoles
curcumin Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa.	3.71	9	0	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger
2-[[3-cyano-4-(2-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]acetic acid [no description available]	2.01	1	0	phenylpyridine
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.	3.12	1	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
geranyl acetate geranyl acetate: constituted about 90% of the palmarosa oil. geranyl acetate : A monoterpenoid that is the acetate ester derivative of geraniol.	2.51	2	0	acetate ester; monoterpenoid	plant metabolite
citralva citralva: citrus odourant	2.01	1	0
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.	3.78	10	0	epoxide	metabolite
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.	3.91	3	0	cinnamate ester; tannin	food component; plant metabolite
N-[2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenyl-2-benzimidazol-3-iumyl]ethenyl]-N-methylaniline [no description available]	2.01	1	0	benzimidazoles
ethyldimethylaminopropyl carbodiimide 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride: structure in first source	2.11	1	0
thioacetamide Thioacetamide: A crystalline compound used as a laboratory reagent in place of HYDROGEN SULFIDE. It is a potent hepatocarcinogen.. thioacetamide : A thiocarboxamide consiting of acetamide having the oxygen replaced by sulfur.	2.02	1	0	thiocarboxamide	hepatotoxic agent
tamoxifen citrate [no description available]	2.11	1	0	citrate salt	angiogenesis inhibitor; anticoronaviral agent
tamoxifen [no description available]	2.41	2	0	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator
nadp [no description available]	3.86	3	0
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)	3.3	6	0
eskazine [no description available]	2.11	1	0
nsc 336628 [no description available]	2.11	1	0
lithium Lithium: An element in the alkali metals family. It has the atomic symbol Li, atomic number 3, and atomic weight [6.938; 6.997]. Salts of lithium are used in treating BIPOLAR DISORDER.	1.99	1	0	alkali metal atom
decyl glucoside decyl glucoside: a non-ionic surfactant used in rinse-off products	2.13	1	0
azoxystrobin azoxystrobin: a methoxyacrylate analog; a strobilurin fungicide; structure given in first source. azoxystrobin : An aryloxypyrimidine having a 4,6-diphenoxypyrimidine skeleton in which one of the phenyl rings is cyano-substituted at C-2 and the other carries a 2-methoxy-1-(methoxycarbonyl)vinyl substituent, also at C-2. An inhibitor of mitochondrial respiration by blocking electron transfer between cytochromes b and c1, it is used widely as a fungicide in agriculture.	2.03	1	0	aryloxypyrimidine; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; methyl ester; nitrile	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; quinone outside inhibitor; xenobiotic
1,3-dimethyl-8-[2-(1-pyrrolidinyl)ethylthio]-6-sulfanylidene-7H-purin-2-one [no description available]	2.11	1	0	oxopurine
cytellin cytellin: a phytosterol preparation of mainly B-sitosterol, that was marketed by Eli Lilly to lower cholesterol 1957 to 1982	2.08	1	0
cambinol cambinol: inhibitor of human silent information regulator 2 enzymes; structure in first source	2.11	1	0
nsc 117199 [no description available]	2.11	1	0
ovalbumin Ovalbumin: An albumin obtained from the white of eggs. It is a member of the serpin superfamily.	3.16	5	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.	2.63	2	0	organic sodium salt	detergent; protein denaturant
hydroxyethylcellulose hydroxyethylcellulose: component of contact lens wetting solutions; aldiamed is an artificial saliva; RN given refers to parent cpd. hydroxyethylcellulose : A polysaccharide derivative that is cellulose in which hydroxyethyl groups are bound to some of the hydroxyl groups of the glucopyranose monomers.	2.05	1	0
quercetin [no description available]	3.51	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
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.	2.42	2	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
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.	2.13	1	0	trihydroxyflavone	antineoplastic agent; metabolite
luteolin [no description available]	2.01	1	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.	2.46	2	0	octadecadienoic acid; omega-6 fatty acid	algal metabolite; Daphnia galeata metabolite; plant metabolite
scopoletin [no description available]	2.44	2	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.	2.98	4	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
leukotriene b4 Leukotriene B4: The major metabolite in neutrophil polymorphonuclear leukocytes. It stimulates polymorphonuclear cell function (degranulation, formation of oxygen-centered free radicals, arachidonic acid release, and metabolism). (From Dictionary of Prostaglandins and Related Compounds, 1990). leukotriene B4 : A leukotriene composed of (6Z,8E,10E,14Z)-icosatetraenoic acid having (5S)- and (12R)-hydroxy substituents. It is a lipid mediator of inflammation that is generated from arachidonic acid via the 5-lipoxygenase pathway.	2.4	2	0	dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid	human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent
leukotriene c4 Leukotriene C4: The conjugation product of LEUKOTRIENE A4 and glutathione. It is the major arachidonic acid metabolite in macrophages and human mast cells as well as in antigen-sensitized lung tissue. It stimulates mucus secretion in the lung, and produces contractions of nonvascular and some VASCULAR SMOOTH MUSCLE. (From Dictionary of Prostaglandins and Related Compounds, 1990). leukotriene C4 : A leukotriene that is (5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid in which a glutathionyl group is attached at position 6 via a sulfide linkage.	1.99	1	0	leukotriene	bronchoconstrictor agent; human metabolite; mouse metabolite
farnesal [no description available]	2.1	1	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.	2.15	1	0	beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antioxidant; plant metabolite
stigmasterol stigmasta-5,22-dien-3-ol: isolated from freeze-dried powder of Blackberries (Rubus ursinus L.) which showed an activity on inhibition of chemocarcinogen. stigmasterol : A 3beta-sterol that consists of 3beta-hydroxystigmastane having double bonds at the 5,6- and 22,23-positions.	3.51	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols; stigmastane sterol	plant metabolite
rutin Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders.	2.42	2	0	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
leukotriene d4 Leukotriene D4: One of the biologically active principles of SRS-A. It is generated from LEUKOTRIENE C4 after partial hydrolysis of the peptide chain, i.e., cleavage of the gamma-glutamyl portion. Its biological actions include stimulation of vascular and nonvascular smooth muscle, and increases in vascular permeability. (From Dictionary of Prostaglandins and Related Compounds, 1990). leukotriene D4 : A leukotriene that is (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid substituted by a hydroxy group at position 5 (5S) and a L-cysteinylglycinyl group at position 6 (6R).	1.99	1	0	dipeptide; leukotriene; organic sulfide	bronchoconstrictor agent; human metabolite; mouse metabolite
leukotriene e4 Leukotriene E4: A biologically active principle of SRS-A that is formed from LEUKOTRIENE D4 via a peptidase reaction that removes the glycine residue. The biological actions of LTE4 are similar to LTC4 and LTD4. (From Dictionary of Prostaglandins and Related Compounds, 1990). leukotriene E4 : A leukotriene that is (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid substituted by a hydroxy group at position 5 (5S) and an L-cystein-S-yl group at position 6 (6R).	1.99	1	0	amino dicarboxylic acid; L-cysteine thioether; leukotriene; non-proteinogenic L-alpha-amino acid; secondary alcohol
gamma-linolenic acid gamma-Linolenic Acid: An omega-6 fatty acid produced in the body as the delta 6-desaturase metabolite of linoleic acid. It is converted to dihomo-gamma-linolenic acid, a biosynthetic precursor of monoenoic prostaglandins such as PGE1. (From Merck Index, 11th ed). gamma-linolenic acid : A C18, omega-6 acid fatty acid comprising a linolenic acid having cis- double bonds at positions 6, 9 and 12.	2.02	1	0	linolenic acid; omega-6 fatty acid	human metabolite; mouse metabolite; plant 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.	2.41	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.	2.41	1	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial 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.	2.17	1	0	oxo monocarboxylic acid	jasmonates; 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).	2.08	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
esculin [no description available]	2.01	1	0	beta-D-glucoside; hydroxycoumarin	antioxidant; metabolite
7-hydroxycoumarin 7-oxycoumarin: derivatives have anti-oxidant properties. umbelliferone : A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7.	2.01	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.	2.76	3	0	beta-caryophyllene	fragrance; insect attractant; metabolite; non-steroidal anti-inflammatory drug
humulene humulene: structure given in first source. (1E,4E,8E)-alpha-humulene : The (1E,4E,8E)-isomer of alpha-humulene.	2.59	2	0	alpha-humulene
chrysin chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7.	2.01	1	0	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
mangostin mangostin: xanthone from rind of Garcinia mangostana Linn. fruit. alpha-mangostin : A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3 and 6, a methoxy group at position 7, an oxo group at position 9 and prenyl groups at positions 2 and 8. Isolated from the stems of Cratoxylum cochinchinense, it exhibits antioxidant, antimicrobial and antitumour activities.	2.11	1	0	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite
myricetin [no description available]	2.46	2	0	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite
myricitrin myricitrin: isolated from root bark of Myrica cerifera L.; structure. myricitrin : A glycosyloxyflavone that consists of myricetin attached to a alpha-L-rhamnopyranosyl residue at position 3 via a glycosidic linkage. Isolated from Myrica cerifera, it exhibits anti-allergic activity.	2.15	1	0	alpha-L-rhamnoside; glycosyloxyflavone; monosaccharide derivative; pentahydroxyflavone	anti-allergic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; plant metabolite
coumestrol Coumestrol: A daidzein derivative occurring naturally in forage crops which has some estrogenic activity.. coumestrol : A member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9.	2.11	1	0	coumestans; delta-lactone; polyphenol	anti-inflammatory agent; antioxidant; plant metabolite
rosmarinic acid rosmarinic acid: RN given refers to parent cpd; promote OT project. (R)-rosmarinic acid : A stereoisomer of rosmarinic acid having (R)-configuration.. rosmarinic acid : The 1-carboxy-2-(2,4-dihydroxyphenyl)ethyl ester of trans-caffeic acid.	2.07	1	0	rosmarinic acid	geroprotector; plant metabolite
rottlerin rottlerin: an angiogenesis inhibitor; an inhibitor of protein kinase Cdelta (PKCdelta) and calmodulin kinase III; RN refers to (E)-isomer; do not confuse this chalcone with an anthraquinone that is also called rottlerin (RN 481-72-1);. rottlerin : A chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis.	2.11	1	0	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite
ellagic acid [no description available]	2.59	2	0	catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent
anandamide anandamide : An N-acylethanolamine 20:4 resulting from the formal condensation of carboxy group of arachidonic acid with the amino group of ethanolamine.	3.12	1	0	endocannabinoid; N-acylethanolamine 20:4	human blood serum metabolite; neurotransmitter; vasodilator agent
thromboxane b2 Thromboxane B2: A stable, physiologically active compound formed in vivo from the prostaglandin endoperoxides. It is important in the platelet-release reaction (release of ADP and serotonin).. thromboxane B2 : A member of the class of thromboxanes B that is (5Z,13E)-thromboxa-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15.	1.99	1	0	thromboxanes B	human metabolite; mouse metabolite
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).	2.1	1	0	heptadienal	flavouring agent
phenylephrine hydrochloride Nose: A part of the upper respiratory tract. It contains the organ of SMELL. The term includes the external nose, the nasal cavity, and the PARANASAL SINUSES.. phenylephrine hydrochloride : A hydrochloride that is the monohydrochloride salt of phenylephrine.	3.23	5	0	hydrochloride
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.	2.45	2	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
olvanil [no description available]	3.12	1	0	methoxybenzenes; phenols
cycloheterophyllin cycloheterophyllin: RN refers to ((+)-)-isomer; structure given in first source	2.01	1	0	extended flavonoid
beta-farnesene beta-farnesene: structure given in first source	2.44	2	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.	2.96	3	0	nerolidol
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).	2.45	2	0	beta-ocimene	plant metabolite
rotundone rotundone: has a spicy aroma; structure in first source	3.21	1	0	sesquiterpenoid
caryophyllene caryophyllene: RN given refers to cpd without isomeric designation; structure given in first source	4.37	19	0
7,8-dimethylalloxazine 7,8-dimethylalloxazine: structure. 7,8-dimethylisoalloxazine : A 7,8-dimethylbenzo[g]pteridine-2,4-dione that is isoalloxazine substituted by methyl groups at positions 7 and 8.. lumichrome : A compound showing blue fluorescence, formed by a photolysis of riboflavin in acid or neutral solution.	2.11	1	0	7,8-dimethylbenzo[g]pteridine-2,4-dione	plant metabolite
dihydrothobainone [no description available]	2.11	1	0
bismuth Bismuth: A metallic element that has the atomic symbol Bi, and atomic number 83. Its principal isotope is Bismuth 209.	2.47	2	0	metal atom; pnictogen
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.	2.21	1	0	apo carotenoid monoterpenoid; cyclic monoterpene ketone; enone	fragrance; plant metabolite; volatile oil component
piperic acid piperinic acid: from Piper longum; structure in first source. (E,E)-piperic acid : A monocarboxylic acid that is (E)-penta-2,4-dienoic acid substituted by a 1,3-benzodioxol-5-yl group at position 5. It has been isolated from black pepper (Piper nigrum).	2.11	1	0	alpha,beta-unsaturated monocarboxylic acid; benzodioxoles	plant metabolite
germacrene d germacrene D: RN in 9th CI Form Index for unspecified stereoisomer: 37839-63-7	3.58	8	0
abscisic acid 2-trans-abscisic acid : An abscisic acid in which the two acyclic double bonds both have trans-geometry.	2.11	1	0	abscisic acids
radicinin radicinin: mold metabolite from plant pathogen Stemphylium radicinum; RN given refers to (2S-(2alpha,3beta,7E))-isomer; structure	2.11	1	0	aromatic ketone
5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid [no description available]	2.11	1	0	imidazopyrazine
hispanolone hispanolone: structure in first source	2.11	1	0
cysteine Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.	2.13	1	0	cysteinium	fundamental metabolite
phosphorus Phosphorus: A non-metal element that has the atomic symbol P, atomic number 15, and atomic weight 31. It is an essential element that takes part in a broad variety of biochemical reactions.	2.46	2	0	monoatomic phosphorus; nonmetal atom; pnictogen	macronutrient
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	2.06	1	0
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
c.i. fluorescent brightening agent 28 4,4'-bis({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)stilbene-2,2'-disulfonic acid : An organosulfonic acid comprising stilbene having 4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino groups at the 4 and 4'-positions and sulfo groups at the 2- and 2'-positions.	2.15	1	0
cadinol cadinol: from callus cultures of Chamomilla recutita (Asteraceae)	3.33	6	0
gamma-cadinene gamma-cadinene: metabolite from Aspergillus terreus; RN given for compound with no isomeric designation; structure given. (+)-gamma-cadinene : A member of the cadinene family of sesquiterpenes in which the isopropyl group is cis to the hydrogen at the adjacent bridgehead carbon (the 1S,4aR,8aR enantiomer).	2.08	1	0	cadinene; gamma-cadinene; octahydronaphthalenes
curdione curdione: from Curcuma wenyujin; structure in first source	2.08	1	0	germacrane sesquiterpenoid
beta-escin [no description available]	2.05	1	0
borneol [no description available]	2.72	3	0	borneol
emetine hydrochloride [no description available]	2.01	1	0
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.	2.08	1	0	beta-elemene	antineoplastic agent
bornyl acetate [no description available]	3.14	5	0	acetate ester; monoterpenoid
isoborneol isoborneol: RN given refers to cpd without isomeric designation; structure	4.48	21	0	borneol
hypericum Hypericum: Genus of perennial plants in the family CLUSIACEAE (sometimes classified as Hypericaceae). Herbal and homeopathic preparations are used for depression, neuralgias, and a variety of other conditions. Hypericum contains flavonoids; GLYCOSIDES; mucilage, TANNINS; volatile oils (OILS, ESSENTIAL), hypericin and hyperforin.. 6-formamidopenicillanic acid : A penicillanic acid having a (6R)-formamido substituent.	2.21	1	0	penicillanic acids
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.	4.16	3	1	biguanides; monochlorobenzenes	antibacterial agent; antiinfective agent
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).	3.45	7	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
aluminum oxide Aluminum Oxide: An oxide of aluminum, occurring in nature as various minerals such as bauxite, corundum, etc. It is used as an adsorbent, desiccating agent, and catalyst, and in the manufacture of dental cements and refractories.	2.41	1	0
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.	2.1	1	0	beta-bisabolene
sideroxylonal c sideroxylonal C: formylated phloroglucinol from flowers of Eucalyptus albens; structure in first source	2.06	1	0
artemisitene artemisitene: RN given for (3R-(3alpha,5abeta,6beta,8abeta,12beta,12aR*))-isomer; structure in first source	2.06	1	0
alpha-agarofuran [no description available]	2.15	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
lactulose Lactulose: A synthetic disaccharide used in the treatment of constipation and hepatic encephalopathy. It has also been used in the diagnosis of gastrointestinal disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p887). lactulose : A synthetic galactosylfructose disaccharide used in the treatment of constipation and hepatic encephalopathy.	2.13	1	0
nystatin a1 Nystatin: Macrolide antifungal antibiotic complex produced by Streptomyces noursei, S. aureus, and other Streptomyces species. The biologically active components of the complex are nystatin A1, A2, and A3.. nystatin : A heterogeneous mixture of polyene compounds produced by cultures of Streptomyces noursei. It mainly consists of three biologically active components designated nystatin A1, nystatin A2, and nystatin A3. It is used to treat oral and dermal fungal infections.. nystatin A1 : A polyene macrolide antibiotic; part of the nystatin complex produced by several Streptomyces species. It is an antifungal antibiotic used for the treatment of topical fungal infections caused by a broad spectrum of fungal pathogens comprising yeast-like and filamentous species.	2.41	1	0	nystatins
veratridine Veratridine: A benzoate-cevane found in VERATRUM and Schoenocaulon. It activates SODIUM CHANNELS to stay open longer than normal.	2.11	1	0
caryolan-1-ol caryolan-1-ol: structure in first source	2.1	1	0
calcimycin Calcimycin: An ionophorous, polyether antibiotic from Streptomyces chartreusensis. It binds and transports CALCIUM and other divalent cations across membranes and uncouples oxidative phosphorylation while inhibiting ATPase of rat liver mitochondria. The substance is used mostly as a biochemical tool to study the role of divalent cations in various biological systems.	1.99	1	0	benzoxazole
scopolamine hydrobromide [no description available]	3.14	1	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.	3.01	4	0	carbotricyclic compound; sesquiterpenoid; tertiary alcohol	anti-inflammatory agent; antifeedant; antimycobacterial drug; plant metabolite; volatile oil component
phytosterols Phytosterols: A class of organic compounds known as sterols or STEROIDS derived from plants.. phytosterols : Sterols similar to cholesterol which occur in plants and vary only in carbon side chains and/or presence or absence of a double bond.	2.21	1	0
myricetin-3-o-galactoside myricetin-3-O-galactoside: antioxidant and antigenotoxic from Myrtus communis; structure in first source	2.15	1	0
clove Madagascar: One of the Indian Ocean Islands off the southeast coast of Africa. Its capital is Antananarivo. It was formerly called the Malagasy Republic. Discovered by the Portuguese in 1500, its history has been tied predominantly to the French, becoming a French protectorate in 1882, a French colony in 1896, and a territory within the French union in 1946. The Malagasy Republic was established in the French Community in 1958 but it achieved independence in 1960. Its name was changed to Madagascar in 1975. (From Webster's New Geographical Dictionary, 1988, p714)	3.99	12	0
ants Ants: Insects of the family Formicidae, very common and widespread, probably the most successful of all the insect groups. All ants are social insects, and most colonies contain three castes, queens, males, and workers. Their habits are often very elaborate and a great many studies have been made of ant behavior. Ants produce a number of secretions that function in offense, defense, and communication. (From Borror, et al., An Introduction to the Study of Insects, 4th ed, p676)	2.58	2	0
jujubogenin jujubogenin: dammarane type triterpene	2.05	1	0
nad NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety.	2.54	2	0	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
cytochrome c-t Cytochromes c: Cytochromes of the c type that are found in eukaryotic MITOCHONDRIA. They serve as redox intermediates that accept electrons from MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX III and transfer them to MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX IV.	2.17	1	0
ceruletide Ceruletide: A specific decapeptide obtained from the skin of Hila caerulea, an Australian amphibian. Caerulein is similar in action and composition to CHOLECYSTOKININ. It stimulates gastric, biliary, and pancreatic secretion; and certain smooth muscle. It is used in paralytic ileus and as diagnostic aid in pancreatic malfunction.. ceruletide : A decapeptide comprising 5-oxoprolyl, glutamyl, aspartyl, O-sulfotyrosyl, threonyl, glycyl, tryptopyl, methionyl, aspartyl and phenylalaninamide residues in sequence. Found in the skins of certain Australian amphibians, it is an analogue of the gastrointestinal peptide hormone cholecystokinin and stimulates gastric, biliary, and pancreatic secretion. It is used in cases of paralysis of the intestine (paralytic ileus) and as a diagnostic aid in pancreatic malfunction.	2.08	1	0	oligopeptide	diagnostic agent; gastrointestinal drug
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.	3.51	1	0
cellulose DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications.	2.05	1	0	glycoside
phosphatidylcholines Phosphatidylcholines: Derivatives of PHOSPHATIDIC ACIDS in which the phosphoric acid is bound in ester linkage to a CHOLINE moiety.	2.13	1	0	1,2-diacyl-sn-glycero-3-phosphocholine
(2S)-2-[[[4-[(4-chloroanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester [no description available]	2.01	1	0	aromatic amide; tert-butyl ester
calpain Calpain: Cysteine proteinase found in many tissues. Hydrolyzes a variety of endogenous proteins including NEUROPEPTIDES; CYTOSKELETAL PROTEINS; proteins from SMOOTH MUSCLE; CARDIAC MUSCLE; liver; platelets; and erythrocytes. Two subclasses having high and low calcium sensitivity are known. Removes Z-discs and M-lines from myofibrils. Activates phosphorylase kinase and cyclic nucleotide-independent protein kinase. This enzyme was formerly listed as EC 3.4.22.4.	2.31	1	0
chitosan [no description available]	2.59	2	0
zimelidine hydrochloride [no description available]	2.11	1	0
sodium nitrite Sodium Nitrite: Nitrous acid sodium salt. Used in many industrial processes, in meat curing, coloring, and preserving, and as a reagent in ANALYTICAL CHEMISTRY TECHNIQUES. It is used therapeutically as an antidote in cyanide poisoning. The compound is toxic and mutagenic and will react in vivo with secondary or tertiary amines thereby producing highly carcinogenic nitrosamines.. sodium nitrite : An inorganic sodium salt having nitrite as the counterion. Used as a food preservative and antidote to cyanide poisoning.	2.15	1	0	inorganic sodium salt; nitrite salt	antidote to cyanide poisoning; antihypertensive agent; antimicrobial food preservative; food antioxidant; poison
vuf10166 [no description available]	3.25	1	0
cardiovascular agents Cardiovascular Agents: Agents that affect the rate or intensity of cardiac contraction, blood vessel diameter, or blood volume.	2.05	1	0
glycolipids [no description available]	2.31	1	0
piperidines Piperidines: A family of hexahydropyridines.	2.15	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
methylcellulose Methylcellulose: Methylester of cellulose. Methylcellulose is used as an emulsifying and suspending agent in cosmetics, pharmaceutics and the chemical industry. It is used therapeutically as a bulk laxative.	2.04	1	0
jujuboside a [no description available]	2.05	1	0	triterpenoid
heme Heme: The color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins.. ferroheme : Any iron(II)--porphyrin coordination complex.. ferroheme b : Heme b in which the iron has oxidation state +2.. heme : A heme is any tetrapyrrolic chelate of iron.	2.25	1	0
ascorbic acid Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms.	2.25	1	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
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.	6.38	11	4	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.	2.78	3	0	benzenes; hydroxycoumarin; methyl ketone
chlortetracycline hydrochloride Alexomycin: a thiopeptide; a cyclic peptide antibiotic produced by Streptomyces arginensis isolated from the soil	2.11	1	0
viridicatumtoxin viridicatumtoxin: isolated from cultures of Penicillium viridicatum; RN given refers to 2'alpha,7'beta,11'abeta,12'beta-(-) isomer. viridicatumtoxin : A tetracycline-like polyketide antibiotic that is produced by several species of Penicillium and Aspergillus.	2.11	1	0
epidermal growth factor Epidermal Growth Factor: A 6-kDa polypeptide growth factor initially discovered in mouse submaxillary glands. Human epidermal growth factor was originally isolated from urine based on its ability to inhibit gastric secretion and called urogastrone. Epidermal growth factor exerts a wide variety of biological effects including the promotion of proliferation and differentiation of mesenchymal and EPITHELIAL CELLS. It is synthesized as a transmembrane protein which can be cleaved to release a soluble active form.	2.06	1	0
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
myricetin-3-o-rhamnoside myricetin-3-O-rhamnoside: antioxidant and antigenotoxic from Myrtus communis; structure in first source	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.	2.82	2	0
globulol globulol: from the fruits of Eucalyptus globulus Labill; structure in first source	2.47	2	0
nephrin nephrin: gene nephrin is mutated in congenital nephrotic syndrome; amino acid sequence in first source; GenBank F19541; RefSeq NM_019459 (mouse), NM_004646 (human), NM_022628 (rat)	2.17	1	0
peoniflorin peoniflorin: from Radix and of Paeonia suffruticosa	2.05	1	0
flavin mononucleotide Flavin Mononucleotide: A coenzyme for a number of oxidative enzymes including NADH DEHYDROGENASE. It is the principal form in which RIBOFLAVIN is found in cells and tissues.	2.52	2	0
2-methylisoborneol 2-methylisoborneol: structure. 2-methylisoborneol : An bornane monoterpenoid comprising isoborneol carrying a 2-methyl substituent (the 1R,2R,4R-diastereomer).	2.1	1	0
muramidase Muramidase: A basic enzyme that is present in saliva, tears, egg white, and many animal fluids. It functions as an antibacterial agent. The enzyme catalyzes the hydrolysis of 1,4-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrin. EC 3.2.1.17.	2.17	1	0
cyclic gmp Cyclic GMP: Guanosine cyclic 3',5'-(hydrogen phosphate). A guanine nucleotide containing one phosphate group which is esterified to the sugar moiety in both the 3'- and 5'-positions. It is a cellular regulatory agent and has been described as a second messenger. Its levels increase in response to a variety of hormones, including acetylcholine, insulin, and oxytocin and it has been found to activate specific protein kinases. (From Merck Index, 11th ed). 3',5'-cyclic GMP : A 3',5'-cyclic purine nucleotide in which the purine nucleobase is specified as guanidine.	2.39	2	0	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
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)	2.41	1	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
dacarbazine (E)-dacarbazine : A dacarbazine in which the N=N double bond adopts a trans-configuration.	2.11	1	0	dacarbazine
hematein hematein: structure. hematein : An organic heterotetracyclic compound that is -6a,7-dihydrobenzo[b]indeno[1,2-d]pyran-9-one carrying four hydroxy substituents at positions 3, 4, 6a and 10.	2.11	1	0
8-bromocyclic gmp 8-bromo-3',5'-cyclic GMP : A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic GMP bearing an additional bromo substituent at position 8 on the guanine ring. A membrane permeable cGMP analogue that activates protein kinase G (PKG). It is 4.3-fold more potent than cGMP in activating PKG1alpha and promotes relaxation of tracheal and vascular smooth muscle tissue in vitro.	2.39	2	0	3',5'-cyclic purine nucleotide; organobromine compound	muscle relaxant; protein kinase G agonist
trypan blue Trypan Blue: A diazo-naphthalene sulfonate that is widely used as a stain.. trypan blue : An organosulfonate salt that is the tetrasodium salt of 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid).	2.44	2	0
imidacloprid imidacloprid: systemic & contact insecticide exhibiting low mammalian toxicity; structure given in first source; it is one of the neonicotinoid insecticides, which acts as an antagonist by binding to postsynaptic nicotinic receptors in the insect central nervous system. imidacloprid : An imidazolidine that is N-nitroimidazolidin-2-imine bearing a (6-chloro-3-pyridinyl)methyl substituent at position 1.	2.82	2	0	imidacloprid; imidazolidines; monochloropyridine	environmental contaminant; genotoxin; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic
avermectin avermectin: produced by actinomycete, Streptomyces avermitilis; structure; see also records for specific avermectins. avermectin : Any of the macrolides obtained as fermentation products from the bacterium Streptomyces avermitilis and consisting of a 16-membered macrocyclic backbone that is fused both benzofuran and spiroketal functions and contains a disaccharide substituent. They have significant anthelmintic and insecticidal properties.	8.7	1	0
curcumenol curcumenol: from Echinacea; structure in first source	2.08	1	0

Condition	Indicated	Relationship Strength	Studies	Trials
Cancer of Lung [description not available]	0	2.01	1	0
Lung Neoplasms Tumors or cancer of the LUNG.	0	2.01	1	0
Innate Inflammatory Response [description not available]	0	5.38	20	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.	0	5.38	20	0
Tuberculosis, Drug-Resistant [description not available]	0	2.1	1	0
Koch's Disease [description not available]	0	2.1	1	0
Tuberculosis Any of the infectious diseases of man and other animals caused by species of MYCOBACTERIUM TUBERCULOSIS.	0	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.	0	2.1	1	0
Benign Neoplasms [description not available]	0	3.87	2	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.	0	3.87	2	0
Congenital Zika Syndrome [description not available]	0	2.72	2	0
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	0	5.74	29	0
Zika Virus Infection A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.	0	2.72	2	0
Cardiac Failure [description not available]	0	2.72	2	0
Heart Failure A heterogeneous condition in which the heart is unable to pump out sufficient blood to meet the metabolic need of the body. Heart failure can be caused by structural defects, functional abnormalities (VENTRICULAR DYSFUNCTION), or a sudden overload beyond its capacity. Chronic heart failure is more common than acute heart failure which results from sudden insult to cardiac function, such as MYOCARDIAL INFARCTION.	0	2.72	2	0
Breast Cancer [description not available]	0	2.31	1	0
Breast Neoplasms Tumors or cancer of the human BREAST.	0	2.31	1	0
Infections, Klebsiella [description not available]	0	2.31	1	0
Klebsiella Infections Infections with bacteria of the genus KLEBSIELLA.	0	2.31	1	0
Blood Clot [description not available]	0	2.31	1	0
Thrombosis Formation and development of a thrombus or blood clot in the blood vessel.	0	2.31	1	0
Hepatocellular Carcinoma [description not available]	0	2.41	1	0
Cancer of Liver [description not available]	0	2.41	1	0
Carcinoma, Hepatocellular A primary malignant neoplasm of epithelial liver cells. It ranges from a well-differentiated tumor with EPITHELIAL CELLS indistinguishable from normal HEPATOCYTES to a poorly differentiated neoplasm. The cells may be uniform or markedly pleomorphic, or form GIANT CELLS. Several classification schemes have been suggested.	0	2.41	1	0
Liver Neoplasms Tumors or cancer of the LIVER.	0	2.41	1	0
Cancer of Skin [description not available]	0	2.41	1	0
Skin Neoplasms Tumors or cancer of the SKIN.	0	2.41	1	0
Hypertrophy, Right Ventricular Enlargement of the RIGHT VENTRICLE of the heart. This increase in ventricular mass is often attributed to PULMONARY HYPERTENSION and is a contributor to cardiovascular morbidity and mortality.	0	2.41	1	0
Pulmonary Hypertension [description not available]	0	2.9	2	0
Cardiomyopathies, Primary [description not available]	0	2.9	2	0
Right Ventricular Dysfunction [description not available]	0	2.41	1	0
Pulmonary Arterial Hypertension A progressive rare pulmonary disease characterized by high blood pressure in the PULMONARY ARTERY.	0	3.22	3	0
Hypertension, Pulmonary Increased VASCULAR RESISTANCE in the PULMONARY CIRCULATION, usually secondary to HEART DISEASES or LUNG DISEASES.	0	2.9	2	0
Cardiomyopathies A group of diseases in which the dominant feature is the involvement of the CARDIAC MUSCLE itself. Cardiomyopathies are classified according to their predominant pathophysiological features (DILATED CARDIOMYOPATHY; HYPERTROPHIC CARDIOMYOPATHY; RESTRICTIVE CARDIOMYOPATHY) or their etiological/pathological factors (CARDIOMYOPATHY, ALCOHOLIC; ENDOCARDIAL FIBROELASTOSIS).	0	2.9	2	0
Cardiac Hypertrophy Enlargement of the HEART due to chamber HYPERTROPHY, an increase in wall thickness without an increase in the number of cells (MYOCYTES, CARDIAC). It is the result of increase in myocyte size, mitochondrial and myofibrillar mass, as well as changes in extracellular matrix.	0	2.76	2	0
Cardiomegaly Enlargement of the HEART, usually indicated by a cardiothoracic ratio above 0.50. Heart enlargement may involve the right, the left, or both HEART VENTRICLES or HEART ATRIA. Cardiomegaly is a nonspecific symptom seen in patients with chronic systolic heart failure (HEART FAILURE) or several forms of CARDIOMYOPATHIES.	0	2.76	2	0
Hematologic Malignancies [description not available]	0	2.41	1	0
Moniliasis, Oral [description not available]	0	2.41	1	0
Candidiasis, Oral Infection of the mucous membranes of the mouth by a fungus of the genus CANDIDA. (Dorland, 27th ed)	0	2.41	1	0
Hematologic Neoplasms Neoplasms located in the blood and blood-forming tissue (the bone marrow and lymphatic tissue). The commonest forms are the various types of LEUKEMIA, of LYMPHOMA, and of the progressive, life-threatening forms of the MYELODYSPLASTIC SYNDROMES.	0	2.41	1	0
Parasitemia The presence of parasites (especially malarial parasites) in the blood. (Dorland, 27th ed)	0	2.41	1	0
Brain Swelling [description not available]	0	2.41	1	0
Cerebral Malaria [description not available]	0	2.41	1	0
Brain Edema Increased intracellular or extracellular fluid in brain tissue. Cytotoxic brain edema (swelling due to increased intracellular fluid) is indicative of a disturbance in cell metabolism, and is commonly associated with hypoxic or ischemic injuries (see HYPOXIA, BRAIN). An increase in extracellular fluid may be caused by increased brain capillary permeability (vasogenic edema), an osmotic gradient, local blockages in interstitial fluid pathways, or by obstruction of CSF flow (e.g., obstructive HYDROCEPHALUS). (From Childs Nerv Syst 1992 Sep; 8(6):301-6)	0	2.41	1	0
Acute Confusional Senile Dementia [description not available]	0	3.06	4	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)	0	3.06	4	0
Alveolitis, Fibrosing [description not available]	0	2.41	1	0
Pulmonary Fibrosis A process in which normal lung tissues are progressively replaced by FIBROBLASTS and COLLAGEN causing an irreversible loss of the ability to transfer oxygen into the bloodstream via PULMONARY ALVEOLI. Patients show progressive DYSPNEA finally resulting in death.	0	7.41	1	0
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	0	2.79	3	0
Anasarca [description not available]	0	3.2	5	0
Edema Abnormal fluid accumulation in TISSUES or body cavities. Most cases of edema are present under the SKIN in SUBCUTANEOUS TISSUE.	0	8.2	5	0
Colorectal Cancer [description not available]	0	2.41	1	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.	0	2.41	1	0
Coronary Heart Disease [description not available]	0	2.41	1	0
Coronary Disease An imbalance between myocardial functional requirements and the capacity of the CORONARY VESSELS to supply sufficient blood flow. It is a form of MYOCARDIAL ISCHEMIA (insufficient blood supply to the heart muscle) caused by a decreased capacity of the coronary vessels.	0	2.41	1	0
Neuroblastoma A common neoplasm of early childhood arising from neural crest cells in the sympathetic nervous system, and characterized by diverse clinical behavior, ranging from spontaneous remission to rapid metastatic progression and death. This tumor is the most common intraabdominal malignancy of childhood, but it may also arise from thorax, neck, or rarely occur in the central nervous system. Histologic features include uniform round cells with hyperchromatic nuclei arranged in nests and separated by fibrovascular septa. Neuroblastomas may be associated with the opsoclonus-myoclonus syndrome. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2099-2101; Curr Opin Oncol 1998 Jan;10(1):43-51)	0	7.9	3	0
Burns Injuries to tissues caused by contact with heat, steam, chemicals (BURNS, CHEMICAL), electricity (BURNS, ELECTRIC), or the like.	0	2.41	1	0
Anxiety Feelings or emotions of dread, apprehension, and impending disaster but not disabling as with ANXIETY DISORDERS.	0	2.58	2	0
Hyperammonemia Elevated level of AMMONIA in the blood. It is a sign of defective CATABOLISM of AMINO ACIDS or ammonia to UREA.	0	2.6	1	0
Chronic Illness [description not available]	0	5.37	4	1
Sinus Infections [description not available]	0	5.92	8	3
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).	0	10.37	4	1
Nasal Polyps Focal accumulations of EDEMA fluid in the NASAL MUCOSA accompanied by HYPERPLASIA of the associated submucosal connective tissue. Polyps may be NEOPLASMS, foci of INFLAMMATION, degenerative lesions, or malformations.	0	2.93	3	0
Sinusitis Inflammation of the NASAL MUCOSA in one or more of the PARANASAL SINUSES.	0	5.92	8	3
Colitis Gravis [description not available]	0	2.6	1	0
Bowel Diseases, Inflammatory [description not available]	0	2.6	1	0
Colitis Inflammation of the COLON section of the large intestine (INTESTINE, LARGE), usually with symptoms such as DIARRHEA (often with blood and mucus), ABDOMINAL PAIN, and FEVER.	0	8	4	0
Colitis, Ulcerative Inflammation of the COLON that is predominantly confined to the MUCOSA. Its major symptoms include DIARRHEA, rectal BLEEDING, the passage of MUCUS, and ABDOMINAL PAIN.	0	2.6	1	0
Inflammatory Bowel Diseases Chronic, non-specific inflammation of the GASTROINTESTINAL TRACT. Etiology may be genetic or environmental. This term includes CROHN DISEASE and ULCERATIVE COLITIS.	0	2.6	1	0
Polyarthritis [description not available]	0	2.6	1	0
Pyrexia [description not available]	0	2.6	1	0
Arthritis Acute or chronic inflammation of JOINTS.	0	2.6	1	0
Fever An abnormal elevation of body temperature, usually as a result of a pathologic process.	0	2.6	1	0
Diabetes Mellitus A heterogeneous group of disorders characterized by HYPERGLYCEMIA and GLUCOSE INTOLERANCE.	0	2.6	1	0
Diabetic Retinopathy Disease of the RETINA as a complication of DIABETES MELLITUS. It is characterized by the progressive microvascular complications, such as ANEURYSM, interretinal EDEMA, and intraocular PATHOLOGIC NEOVASCULARIZATION.	0	2.6	1	0
Mastitis, Bovine INFLAMMATION of the UDDER in cows.	0	2.6	1	0
Infections, Staphylococcal [description not available]	0	2.66	2	0
Staphylococcal Infections Infections with bacteria of the genus STAPHYLOCOCCUS.	0	2.66	2	0
Blood Pressure, High [description not available]	0	2.76	3	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.	0	2.76	3	0
Alloxan Diabetes [description not available]	0	2.54	2	0
Cirrhosis [description not available]	0	2.6	1	0
Fibrosis Any pathological condition where fibrous connective tissue invades any organ, usually as a consequence of inflammation or other injury.	0	2.6	1	0
Diabetic Cardiomyopathies Diabetes complications in which VENTRICULAR REMODELING in the absence of CORONARY ATHEROSCLEROSIS and hypertension results in cardiac dysfunctions, typically LEFT VENTRICULAR DYSFUNCTION. The changes also result in myocardial hypertrophy, myocardial necrosis and fibrosis, and collagen deposition due to impaired glucose tolerance.	0	2.6	1	0
Allergic Rhinitis [description not available]	0	2.6	1	0
Rhinitis, Allergic An inflammation of the NASAL MUCOSA triggered by ALLERGENS.	0	2.6	1	0
Age-Related Memory Disorders [description not available]	0	3.14	1	0
Memory Disorders Disturbances in registering an impression, in the retention of an acquired impression, or in the recall of an impression. Memory impairments are associated with DEMENTIA; CRANIOCEREBRAL TRAUMA; ENCEPHALITIS; ALCOHOLISM (see also ALCOHOL AMNESTIC DISORDER); SCHIZOPHRENIA; and other conditions.	0	3.14	1	0
Atherogenesis [description not available]	0	2.6	1	0
Atherosclerosis A thickening and loss of elasticity of the walls of ARTERIES that occurs with formation of ATHEROSCLEROTIC PLAQUES within the ARTERIAL INTIMA.	0	2.6	1	0
Bovine Diseases [description not available]	0	2.21	1	0
Acariasis [description not available]	0	2.21	1	0
Diabetic Glomerulosclerosis [description not available]	0	2.59	2	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.	0	2.59	2	0
Hyperactivity, Motor [description not available]	0	2.21	1	0
Symptom Cluster [description not available]	0	2.25	1	0
Bilateral Nasal Obstruction [description not available]	0	2.25	1	0
Syndrome A characteristic symptom complex.	0	2.25	1	0
Nasal Obstruction Any hindrance to the passage of air into and out of the nose. The obstruction may be unilateral or bilateral, and may involve any part of the NASAL CAVITY.	0	2.25	1	0
Ache [description not available]	0	3.7	3	0
Gout Metabolic disorder characterized by recurrent acute arthritis, hyperuricemia and deposition of sodium urate in and around the joints, sometimes with formation of URIC ACID calculi.	0	7.25	1	0
Pain An unpleasant sensation induced by noxious stimuli which are detected by NERVE ENDINGS of NOCICEPTIVE NEURONS.	0	8.7	3	0
Amentia [description not available]	0	2.25	1	0
Dementia An acquired organic mental disorder with loss of intellectual abilities of sufficient severity to interfere with social or occupational functioning. The dysfunction is multifaceted and involves memory, behavior, personality, judgment, attention, spatial relations, language, abstract thought, and other executive functions. The intellectual decline is usually progressive, and initially spares the level of consciousness.	0	2.25	1	0
Airflow Obstruction, Chronic [description not available]	0	6	5	1
Pulmonary Disease, Chronic Obstructive A disease of chronic diffuse irreversible airflow obstruction. Subcategories of COPD include CHRONIC BRONCHITIS and PULMONARY EMPHYSEMA.	0	6	5	1
Cancer of Ovary [description not available]	0	2.25	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.	0	2.25	1	0
Contact Dermatitis [description not available]	0	2.25	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.	0	2.25	1	0
Fatty Liver, Nonalcoholic [description not available]	0	2.25	1	0
Non-alcoholic Fatty Liver Disease Fatty liver finding without excessive ALCOHOL CONSUMPTION.	0	2.25	1	0
Blood Poisoning [description not available]	0	2.31	1	0
Sepsis Systemic inflammatory response syndrome with a proven or suspected infectious etiology. When sepsis is associated with organ dysfunction distant from the site of infection, it is called severe sepsis. When sepsis is accompanied by HYPOTENSION despite adequate fluid infusion, it is called SEPTIC SHOCK.	0	2.31	1	0
Endotoxemia A condition characterized by the presence of ENDOTOXINS in the blood. On lysis, the outer cell wall of gram-negative bacteria enters the systemic circulation and initiates a pathophysiologic cascade of pro-inflammatory mediators.	0	2.31	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.	0	2.55	2	0
Benign Neoplasms, Brain [description not available]	0	2.31	1	0
Glial Cell Tumors [description not available]	0	2.31	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.	0	2.31	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)	0	2.31	1	0
E coli Infections [description not available]	0	2.25	1	0
Escherichia coli Infections Infections with bacteria of the species ESCHERICHIA COLI.	0	2.25	1	0
Urinary Tract Infections Inflammatory responses of the epithelium of the URINARY TRACT to microbial invasions. They are often bacterial infections with associated BACTERIURIA and PYURIA.	0	2.25	1	0
Candida Infection [description not available]	0	2.31	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)	0	2.31	1	0
Allergic Reaction [description not available]	0	2.25	1	0
Hypersensitivity Altered reactivity to an antigen, which can result in pathologic reactions upon subsequent exposure to that particular antigen.	0	2.25	1	0
Acute Brain Injuries [description not available]	0	2.31	1	0
Hemorrhage, Subarachnoid [description not available]	0	2.31	1	0
Brain Injuries Acute and chronic (see also BRAIN INJURIES, CHRONIC) injuries to the brain, including the cerebral hemispheres, CEREBELLUM, and BRAIN STEM. Clinical manifestations depend on the nature of injury. Diffuse trauma to the brain is frequently associated with DIFFUSE AXONAL INJURY or COMA, POST-TRAUMATIC. Localized injuries may be associated with NEUROBEHAVIORAL MANIFESTATIONS; HEMIPARESIS, or other focal neurologic deficits.	0	2.31	1	0
Subarachnoid Hemorrhage Bleeding into the intracranial or spinal SUBARACHNOID SPACE, most resulting from INTRACRANIAL ANEURYSM rupture. It can occur after traumatic injuries (SUBARACHNOID HEMORRHAGE, TRAUMATIC). Clinical features include HEADACHE; NAUSEA; VOMITING, nuchal rigidity, variable neurological deficits and reduced mental status.	0	2.31	1	0
Disease, Pulmonary [description not available]	0	2.59	2	0
Lung Diseases Pathological processes involving any part of the LUNG.	0	2.59	2	0
Acute Ischemic Stroke [description not available]	0	2.31	1	0
Nervous System Disorders [description not available]	0	2.31	1	0
Ischemic Stroke Stroke due to BRAIN ISCHEMIA resulting in interruption or reduction of blood flow to a part of the brain. When obstruction is due to a BLOOD CLOT formed within in a cerebral blood vessel it is a thrombotic stroke. When obstruction is formed elsewhere and moved to block a cerebral blood vessel (see CEREBRAL EMBOLISM) it is referred to as embolic stroke. Wake-up stroke refers to ischemic stroke occurring during sleep while cryptogenic stroke refers to ischemic stroke of unknown origin.	0	2.31	1	0
Nervous System Diseases Diseases of the central and peripheral nervous system. This includes disorders of the brain, spinal cord, cranial nerves, peripheral nerves, nerve roots, autonomic nervous system, neuromuscular junction, and muscle.	0	2.31	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.	0	2.96	4	0
Nicotine Addiction [description not available]	0	2.31	1	0
Tobacco Use Disorder Tobacco used to the detriment of a person's health or social functioning. Tobacco dependence is included.	0	2.31	1	0
Fungal Diseases [description not available]	0	3.45	2	0
Mycoses Diseases caused by FUNGI.	0	3.45	2	0
Food Poisoning [description not available]	0	2.52	2	0
Infections, Orthomyxoviridae [description not available]	0	2.83	3	0
Orthomyxoviridae Infections Virus diseases caused by the ORTHOMYXOVIRIDAE.	0	2.83	3	0
B16 Melanoma [description not available]	0	2.15	1	0
Cacosmia [description not available]	0	5.43	5	1
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)	0	3.3	6	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).	0	2.57	2	0
Helminthiasis, Animal Infestation of animals with parasitic worms of the helminth class. The infestation may be experimental or veterinary.	0	2.15	1	0
Infections, Mycobacterium [description not available]	0	2.15	1	0
Mycobacterium Infections Infections with bacteria of the genus MYCOBACTERIUM.	0	2.15	1	0
Infections, Respiratory [description not available]	0	4.86	2	1
Respiratory Tract Infections Invasion of the host RESPIRATORY SYSTEM by microorganisms, usually leading to pathological processes or diseases.	0	4.86	2	1
Chronic Lung Injury [description not available]	0	2.17	1	0
Nasal Catarrh [description not available]	0	2.83	3	0
Rhinitis Inflammation of the NASAL MUCOSA, the mucous membrane lining the NASAL CAVITIES.	0	2.83	3	0
Androgen-Independent Prostatic Cancer [description not available]	0	2.17	1	0
Prostatic Neoplasms, Castration-Resistant Tumors or cancer of the PROSTATE which can grow in the presence of low or residual amount of androgen hormones such as TESTOSTERONE.	0	2.17	1	0
Muscle Relaxation That phase of a muscle twitch during which a muscle returns to a resting position.	0	2.77	3	0
Nerve Pain [description not available]	0	2.59	2	0
Neuralgia Intense or aching pain that occurs along the course or distribution of a peripheral or cranial nerve.	0	2.59	2	0
Rheumatoid Arthritis [description not available]	0	2.17	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.	0	2.17	1	0
Emphysema A pathological accumulation of air in tissues or organs.	0	7.21	1	0
Diabetes Mellitus, Adult-Onset [description not available]	0	2.21	1	0
Elevated Cholesterol [description not available]	0	2.21	1	0
Diabetes Mellitus, Type 2 A subclass of DIABETES MELLITUS that is not INSULIN-responsive or dependent (NIDDM). It is characterized initially by INSULIN RESISTANCE and HYPERINSULINEMIA; and eventually by GLUCOSE INTOLERANCE; HYPERGLYCEMIA; and overt diabetes. Type II diabetes mellitus is no longer considered a disease exclusively found in adults. Patients seldom develop KETOSIS but often exhibit OBESITY.	0	2.21	1	0
Hypercholesterolemia A condition with abnormally high levels of CHOLESTEROL in the blood. It is defined as a cholesterol value exceeding the 95th percentile for the population.	0	2.21	1	0
Amaurosis [description not available]	0	2.21	1	0
Blindness The inability to see or the loss or absence of perception of visual stimuli. This condition may be the result of EYE DISEASES; OPTIC NERVE DISEASES; OPTIC CHIASM diseases; or BRAIN DISEASES affecting the VISUAL PATHWAYS or OCCIPITAL LOBE.	0	2.21	1	0
Lung Injury, Acute [description not available]	0	2.82	3	0
Acute Lung Injury A condition of lung damage that is characterized by bilateral pulmonary infiltrates (PULMONARY EDEMA) rich in NEUTROPHILS, and in the absence of clinical HEART FAILURE. This can represent a spectrum of pulmonary lesions, endothelial and epithelial, due to numerous factors (physical, chemical, or biological).	0	7.82	3	0
Conus Medullaris Syndrome [description not available]	0	2.21	1	0
Acne [description not available]	0	2.58	2	0
Bacterial Infections, Gram-Positive [description not available]	0	3.43	2	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.	0	2.58	2	0
Gram-Positive Bacterial Infections Infections caused by bacteria that retain the crystal violet stain (positive) when treated by the gram-staining method.	0	3.43	2	0
Palmoplantaris Pustulosis [description not available]	0	3.59	1	1
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.	0	3.59	1	1
Idiopathic Parkinson Disease [description not available]	0	3.47	1	1
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)	0	3.47	1	1
Respiratory Tract Diseases Diseases involving the RESPIRATORY SYSTEM.	0	2.43	2	0
Acute Edematous Pancreatitis [description not available]	0	2.08	1	0
Pancreatitis INFLAMMATION of the PANCREAS. Pancreatitis is classified as acute unless there are computed tomographic or endoscopic retrograde cholangiopancreatographic findings of CHRONIC PANCREATITIS (International Symposium on Acute Pancreatitis, Atlanta, 1992). The two most common forms of acute pancreatitis are ALCOHOLIC PANCREATITIS and gallstone pancreatitis.	0	7.08	1	0
Adjuvant Arthritis [description not available]	0	2.08	1	0
Cancer of Colon [description not available]	0	2.08	1	0
Colonic Neoplasms Tumors or cancer of the COLON.	0	2.08	1	0
Teeth, Devitalized [description not available]	0	2.48	2	0
Experimental Lung Inflammation Inflammation of any part, segment or lobe, of the lung parenchyma.	0	2.81	3	0
Edema, Pulmonary [description not available]	0	2.1	1	0
Pneumonia Infection of the lung often accompanied by inflammation.	0	2.81	3	0
Pulmonary Edema Excessive accumulation of extravascular fluid in the lung, an indication of a serious underlying disease or disorder. Pulmonary edema prevents efficient PULMONARY GAS EXCHANGE in the PULMONARY ALVEOLI, and can be life-threatening.	0	2.1	1	0
Dental Plaque A film that attaches to teeth, often causing DENTAL CARIES and GINGIVITIS. It is composed of MUCINS, secreted from salivary glands, and microorganisms.	0	5.68	5	4
Gingivitis Inflammation of gum tissue (GINGIVA) without loss of connective tissue.	0	4.66	3	2
Asthma, Bronchial [description not available]	0	6.39	8	2
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).	0	11.39	8	2
Anoxia-Ischemia, Brain [description not available]	0	2.1	1	0
Hypoxia-Ischemia, Brain A disorder characterized by a reduction of oxygen in the blood combined with reduced blood flow (ISCHEMIA) to the brain from a localized obstruction of a cerebral artery or from systemic hypoperfusion. Prolonged hypoxia-ischemia is associated with ISCHEMIC ATTACK, TRANSIENT; BRAIN INFARCTION; BRAIN EDEMA; COMA; and other conditions.	0	2.1	1	0
Diarrhea An increased liquidity or decreased consistency of FECES, such as running stool. Fecal consistency is related to the ratio of water-holding capacity of insoluble solids to total water, rather than the amount of water present. Diarrhea is not hyperdefecation or increased fecal weight.	0	2.11	1	0
Liver Steatosis [description not available]	0	2.11	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.	0	2.11	1	0
Aura [description not available]	0	2.11	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)	0	2.11	1	0
Abdominal Migraine [description not available]	0	2.11	1	0
Migraine Disorders A class of disabling primary headache disorders, characterized by recurrent unilateral pulsatile headaches. The two major subtypes are common migraine (without aura) and classic migraine (with aura or neurological symptoms). (International Classification of Headache Disorders, 2nd ed. Cephalalgia 2004: suppl 1)	0	2.11	1	0
Gastric Ulcer [description not available]	0	2.49	2	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).	0	2.49	2	0
Bacterial Pneumonia [description not available]	0	2.11	1	0
Group A Strep Infection [description not available]	0	2.11	1	0
Streptococcal Infections Infections with bacteria of the genus STREPTOCOCCUS.	0	2.11	1	0
Pneumonia, Bacterial Inflammation of the lung parenchyma that is caused by bacterial infections.	0	2.11	1	0
Cytomegalic Inclusion Disease [description not available]	0	2.13	1	0
Cytomegalovirus Infections Infection with CYTOMEGALOVIRUS, characterized by enlarged cells bearing intranuclear inclusions. Infection may be in almost any organ, but the salivary glands are the most common site in children, as are the lungs in adults.	0	2.13	1	0
Bronchitis Inflammation of the large airways in the lung including any part of the BRONCHI, from the PRIMARY BRONCHI to the TERTIARY BRONCHI.	0	3.51	1	1
Halitosis An offensive, foul breath odor resulting from a variety of causes such as poor oral hygiene, dental or oral infections, or the ingestion of certain foods.	0	2.13	1	0
Mouth Diseases Diseases involving the MOUTH.	0	2.13	1	0
Nasal Diseases [description not available]	0	2.13	1	0
Allergic Contact Dermatitis [description not available]	0	8.36	2	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.	0	3.36	2	0
Airway Hyper-Responsiveness [description not available]	0	2.13	1	0
Grippe [description not available]	0	2.15	1	0
Influenza, Human An acute viral infection in humans involving the respiratory tract. It is marked by inflammation of the NASAL MUCOSA; the PHARYNX; and conjunctiva, and by headache and severe, often generalized, myalgia.	0	2.15	1	0
Craniofacial Pain [description not available]	0	2.15	1	0
Facial Pain Pain in the facial region including orofacial pain and craniofacial pain. Associated conditions include local inflammatory and neoplastic disorders and neuralgic syndromes involving the trigeminal, facial, and glossopharyngeal nerves. Conditions which feature recurrent or persistent facial pain as the primary manifestation of disease are referred to as FACIAL PAIN SYNDROMES.	0	2.15	1	0
Cadaver A dead body, usually a human body.	0	2.04	1	0
Germinoblastoma [description not available]	0	2.05	1	0
Lymphoma A general term for various neoplastic diseases of the lymphoid tissue.	0	2.05	1	0
Muscle Contraction A process leading to shortening and/or development of tension in muscle tissue. Muscle contraction occurs by a sliding filament mechanism whereby actin filaments slide inward among the myosin filaments.	0	3.13	5	0
Breathlessness [description not available]	0	3.43	1	1
Dyspnea Difficult or labored breathing.	0	3.43	1	1
Absence Seizure [description not available]	0	2.05	1	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.	0	2.05	1	0
Tracheitis INFLAMMATION of the TRACHEA that is usually associated with RESPIRATORY TRACT INFECTIONS.	0	2.06	1	0
Infections, Coronavirus [description not available]	0	2.05	1	0
Poultry Diseases Diseases of birds which are raised as a source of meat or eggs for human consumption and are usually found in barnyards, hatcheries, etc. The concept is differentiated from BIRD DISEASES which is for diseases of birds not considered poultry and usually found in zoos, parks, and the wild.	0	3.81	2	1
Coronavirus Infections Virus diseases caused by the CORONAVIRUS genus. Some specifics include transmissible enteritis of turkeys (ENTERITIS, TRANSMISSIBLE, OF TURKEYS); FELINE INFECTIOUS PERITONITIS; and transmissible gastroenteritis of swine (GASTROENTERITIS, TRANSMISSIBLE, OF SWINE).	0	2.05	1	0
Attachment Loss, Periodontal [description not available]	0	3.45	1	1
Adult Periodontitis [description not available]	0	3.45	1	1
Atrophy of Gingiva [description not available]	0	3.45	1	1
Pocket, Periodontal [description not available]	0	3.45	1	1
Hemorrhage, Gingival [description not available]	0	3.45	1	1
Gingival Hemorrhage The flowing of blood from the marginal gingival area, particularly the sulcus, seen in such conditions as GINGIVITIS, marginal PERIODONTITIS, injury, and ASCORBIC ACID DEFICIENCY.	0	3.45	1	1
Periodontal Pocket An abnormal extension of a gingival sulcus accompanied by the apical migration of the epithelial attachment and bone resorption.	0	3.45	1	1
Bacterial Disease [description not available]	0	2.06	1	0
Bacterial Infections Infections by bacteria, general or unspecified.	0	2.06	1	0
Bacterial Infections, Gram-Negative [description not available]	0	2.98	1	0
Gram-Negative Bacterial Infections Infections caused by bacteria that show up as pink (negative) when treated by the gram-staining method.	0	2.98	1	0
Candidiasis, Genital [description not available]	0	2.06	1	0
Bacterial Vaginitides [description not available]	0	2.06	1	0
Candidiasis, Vulvovaginal Infection of the VULVA and VAGINA with a fungus of the genus CANDIDA.	0	2.06	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.	0	2.06	1	0
Furcation Defects Conditions in which a bifurcation or trifurcation of the molar tooth root becomes denuded as a result of periodontal disease. It may be followed by tooth mobility, temperature sensitivity, pain, and alveolar bone resorption.	0	3.46	1	1
Pediculosis [description not available]	0	3.83	2	1
Scalp Dermatoses Skin diseases involving the SCALP.	0	3.46	1	1
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)	0	3.83	2	1
Ovine Diseases [description not available]	0	2.08	1	0
Haemonchiasis Infection with nematodes of the genus HAEMONCHUS, characterized by digestive abnormalities and anemia similar to that from hookworm infestation.	0	2.08	1	0
Aging The gradual irreversible changes in structure and function of an organism that occur as a result of the passage of time.	0	2.41	2	0
Chronic Bronchitis [description not available]	0	3.4	1	1
Cough A sudden, audible expulsion of air from the lungs through a partially closed glottis, preceded by inhalation. It is a protective response that serves to clear the trachea, bronchi, and/or lungs of irritants and secretions, or to prevent aspiration of foreign materials into the lungs.	1	6.63	3	2
Bronchitis, Chronic A subcategory of CHRONIC OBSTRUCTIVE PULMONARY DISEASE. The disease is characterized by hypersecretion of mucus accompanied by a chronic (more than 3 months in 2 consecutive years) productive cough. Infectious agents are a major cause of chronic bronchitis.	0	3.4	1	1
Acute Disease Disease having a short and relatively severe course.	0	3.81	2	1
Acute Liver Injury, Drug-Induced [description not available]	0	2.02	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.	0	2.02	1	0
Dermatitis Any inflammation of the skin.	0	3.4	1	1
Leukemia L5178 An experimental lymphocytic leukemia of mice.	0	2.03	1	0
Plant Poisoning Poisoning by the ingestion of plants or its leaves, berries, roots or stalks. The manifestations in both humans and animals vary in severity from mild to life threatening. In animals, especially domestic animals, it is usually the result of ingesting moldy or fermented forage.	0	2.03	1	0
Kidney Diseases Pathological processes of the KIDNEY or its component tissues.	0	1.98	1	0
Delayed Effects, Prenatal Exposure [description not available]	0	1.99	1	0
Besnoitiasis [description not available]	0	3.38	1	1
Weight Gain Increase in BODY WEIGHT over existing weight.	0	3.38	1	1
Endometrioma An enlarged area of ENDOMETRIOSIS that resembles a tumor. It is usually found in the OVARY. When it is filled with old blood, it is known as a chocolate cyst.	0	1.99	1	0
Endometriosis A condition in which functional endometrial tissue is present outside the UTERUS. It is often confined to the PELVIS involving the OVARY, the ligaments, cul-de-sac, and the uterovesical peritoneum.	0	1.99	1	0
Active Hyperemia [description not available]	0	1.99	1	0
Basophilic Leukemia, Acute [description not available]	0	1.99	1	0
Hyperemia The presence of an increased amount of blood in a body part or an organ leading to congestion or engorgement of blood vessels. Hyperemia can be due to increase of blood flow into the area (active or arterial), or due to obstruction of outflow of blood from the area (passive or venous).	0	1.99	1	0
Leukemia, Basophilic, Acute A rare acute myeloid leukemia in which the primary differentiation is to BASOPHILS. It is characterized by an extreme increase of immature basophilic granulated cells in the bone marrow and blood. Mature basophils are usually sparse.	0	1.99	1	0
Alcohol Related Neurodevelopmental Disorder [description not available]	0	2	1	0
Alcoholic Intoxication An acute brain syndrome which results from the excessive ingestion of ETHANOL or ALCOHOLIC BEVERAGES.	0	2	1	0
Dermatitis, Occupational A recurrent contact dermatitis caused by substances found in the work place.	0	2	1	0
Itching [description not available]	0	2	1	0
Erythema Redness of the skin produced by congestion of the capillaries. This condition may result from a variety of disease processes.	0	2	1	0
Pruritus An intense itching sensation that produces the urge to rub or scratch the skin to obtain relief.	0	2	1	0
Alcohol Abuse [description not available]	0	2	1	0
Alcoholism A primary, chronic disease with genetic, psychosocial, and environmental factors influencing its development and manifestations. The disease is often progressive and fatal. It is characterized by impaired control over drinking, preoccupation with the drug alcohol, use of alcohol despite adverse consequences, and distortions in thinking, most notably denial. Each of these symptoms may be continuous or periodic. (Morse & Flavin for the Joint Commission of the National Council on Alcoholism and Drug Dependence and the American Society of Addiction Medicine to Study the Definition and Criteria for the Diagnosis of Alcoholism: in JAMA 1992;268:1012-4)	0	2	1	0
Gastritis Inflammation of the GASTRIC MUCOSA, a lesion observed in a number of unrelated disorders.	0	2	1	0
Endotoxin Shock [description not available]	0	2	1	0
Hepatic Failure [description not available]	0	2	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.	0	2	1	0
Liver Failure Severe inability of the LIVER to perform its normal metabolic functions, as evidenced by severe JAUNDICE and abnormal serum levels of AMMONIA; BILIRUBIN; ALKALINE PHOSPHATASE; ASPARTATE AMINOTRANSFERASE; LACTATE DEHYDROGENASES; and albumin/globulin ratio. (Blakiston's Gould Medical Dictionary, 4th ed)	0	2	1	0
Caries, Dental [description not available]	0	2	1	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.	0	2	1	0
Root Resorption Resorption in which cementum or dentin is lost from the root of a tooth owing to cementoclastic or osteoclastic activity in conditions such as trauma of occlusion or neoplasms. (Dorland, 27th ed)	0	1.95	1	0
Obstructive Lung Diseases [description not available]	0	3.36	1	1
Lung Diseases, Obstructive Any disorder marked by obstruction of conducting airways of the lung. AIRWAY OBSTRUCTION may be acute, chronic, intermittent, or persistent.	0	3.36	1	1
Dental Leakage The seepage of fluids, debris, and micro-organisms between the walls of a prepared dental cavity and the restoration.	0	2.66	3	0
Keratitis Inflammation of the cornea.	0	1.97	1	0

eucalyptol

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Overview

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Treatment

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Occurs in Manufacturing (11 Product(s))

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Bioassays (139)

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Studies (843)

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Research Demand Index: 68.50

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Trial Overview

eucalyptol

Related Flora

Cross-References

Synonyms (178)

Research Excerpts

Overview

Effects

Treatment

Toxicity

Pharmacokinetics

Compound-Compound Interactions

Bioavailability

Dosage Studied

Occurs in Manufacturing (11 Product(s))

Product Categories

Products

Pathways (4)

Protein Targets (27)

Potency Measurements

Inhibition Measurements

Activation Measurements

Other Measurements

Biological Processes (13)

Molecular Functions (9)

Ceullar Components (11)

Bioassays (139)

Research

Studies (843)

Market Indicators

Research Demand Index: 68.50

Study Types

Clinical Trials (3)

Trial Overview

Related Drugs (734)

Related Conditions (298)