Substance | Relationship Strength | Studies | Trials | Classes | Roles |
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. | 2.25 | 1 | 0 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
croton oil [no description available] | 2.21 | 1 | 0 | N-acyl-hexosamine | |
phenol [no description available] | 2.25 | 1 | 0 | phenols | antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite |
benzyl benzoate benzyl benzoate: structure; acarosan, a moist powder composed of wetted cellulose and benzyl benzoate, is used on carpets as an acaricide. benzyl benzoate : A benzoate ester obtained by the formal condensation of benzoic acid with benzyl alcohol. It has been isolated from the plant species of the genus Polyalthia. | 2.59 | 2 | 0 | benzoate ester; benzyl ester | acaricide; plant metabolite; scabicide |
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. | 2.03 | 1 | 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 |
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. | 3.35 | 1 | 0 | carbobicyclic compound; monoterpene | fragrance; plant metabolite |
alpha-pinene [no description available] | 4.35 | 5 | 0 | pinene | plant metabolite |
methyleugenol methyleugenol: structure | 2.1 | 1 | 0 | phenylpropanoid | |
alpha phellandrene alpha phellandrene: can be irritating to, & absorbed by the skin; ingestion can cause vomiting, diarrhea; RN given refers to cpd without isomeric designation; structure. alpha-phellandrene : One of a pair of phellandrene cyclic monoterpene double-bond isomers in which both double bonds are endocyclic (cf. alpha-phellandrene, where one of them is exocyclic). | 2.1 | 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. | 2.1 | 1 | 0 | cyclohexadiene; monoterpene | antioxidant; human xenobiotic metabolite; plant metabolite; volatile oil component |
ethylbenzene [no description available] | 2.25 | 1 | 0 | alkylbenzene | |
anisole anisole : A monomethoxybenzene that is benzene substituted by a methoxy group. | 2.25 | 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. | 2.25 | 1 | 0 | aldehyde; monoterpenoid | antifungal agent; metabolite |
cyclohexanol Cyclohexanols: Monohydroxy derivatives of cyclohexanes that contain the general formula R-C6H11O. They have a camphorlike odor and are used in making soaps, insecticides, germicides, dry cleaning, and plasticizers.. cyclohexanols : An alcohol in which one or more hydroxy groups are attached to a cyclohexane skeleton. | 3.18 | 1 | 0 | cyclohexanols; secondary alcohol | solvent |
ethyl stearate stearic acid ethyl ester: structure in first source. ethyl octadecanoate : An octadecanoate ester obtained by formal condensation between the carboxy group of octadecanoic (stearic) acid and the hydroxy group of ethanol. | 2.1 | 1 | 0 | long-chain fatty acid ethyl ester; octadecanoate ester | plant metabolite |
estragole estragole : A phenylpropanoid that is chavicol in which the hydroxy group is replaced by a methoxy group. | 2.11 | 1 | 0 | alkenylbenzene; monomethoxybenzene; phenylpropanoid | carcinogenic agent; flavouring agent; genotoxin; insect attractant; plant metabolite |
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. | 2.03 | 1 | 0 | dialdehyde | biomarker |
beta-phellandrene [no description available] | 2.51 | 2 | 0 | phellandrene | plant metabolite |
arsenic trioxide Arsenic Trioxide: An inorganic compound with the chemical formula As2O3 that is used for the treatment of ACUTE PROMYELOCYTIC LEUKEMIA in patients who have relapsed from, or are resistant to, conventional drug therapy. | 3.11 | 1 | 0 | | |
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. | 2.72 | 3 | 0 | pinene | plant metabolite |
dronabinol Dronabinol: A psychoactive compound extracted from the resin of Cannabis sativa (marihuana, hashish). The isomer delta-9-tetrahydrocannabinol (THC) is considered the most active form, producing characteristic mood and perceptual changes associated with this compound.. Delta(9)-tetrahydrocannabinol : A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. The principal psychoactive constituent of the cannabis plant, it is used for treatment of anorexia associated with AIDS as well as nausea and vomiting associated with cancer chemotherapy. | 3.35 | 1 | 0 | benzochromene; diterpenoid; phytocannabinoid; polyketide | cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic |
alpha-terpineol terpineol : A family of monoterpenols that have a p-menthane skeleton containing one double bond and bearing a single hydroxy substituent. | 2.42 | 2 | 0 | terpineol | plant metabolite |
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. | 2.1 | 1 | 0 | thujene | plant metabolite |
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. | 2.1 | 1 | 0 | cycloalkene; p-menthadiene | human metabolite |
3-carene 3-carene: RN given refers to cpd without isomeric designation | 2.1 | 1 | 0 | monoterpene | |
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. | 2.17 | 1 | 0 | carbobicyclic compound; cyclic ketone; enone | |
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. | 2.5 | 2 | 0 | monoterpene | anabolic agent; anti-inflammatory agent; flavouring agent; fragrance; plant metabolite; volatile oil component |
tetradecanal tetradecanal : A long-chain fatty aldehyde that is tetradecane in which two hydrogens attached to a terminal carbon are replaced by an oxo group. It is found in coriander. | 2.25 | 1 | 0 | 2,3-saturated fatty aldehyde; long-chain fatty aldehyde | bacterial metabolite; plant metabolite |
transferrin Transferrin: An iron-binding beta1-globulin that is synthesized in the LIVER and secreted into the blood. It plays a central role in the transport of IRON throughout the circulation. A variety of transferrin isoforms exist in humans, including some that are considered markers for specific disease states. | 2.31 | 1 | 0 | | |
alkenes [no description available] | 3.03 | 4 | 0 | | |
paclitaxel Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL). | 3.11 | 1 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
allicin [no description available] | 1.99 | 1 | 0 | botanical anti-fungal agent; sulfoxide | antibacterial agent |
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. | 2.25 | 1 | 0 | olefinic compound; sesquiterpenoid; tertiary alcohol | fragrance; plant metabolite |
zingiberene zingiberene: in wild tomato; structure in first source. zingiberene : 2-Methylcyclohexa-1,3-diene in which a hydrogen at the 5 position is substituted (R configuration) by a 6-methyl-hept-5-en-2-yl group (S configuration). It is a sesquiterpene found in the dried rhizomes of Indonesian ginger, Zingiber officinale. | 2.11 | 1 | 0 | cyclohexadiene; sesquiterpene | |
phytol [no description available] | 2.13 | 1 | 0 | | |
docetaxel anhydrous Docetaxel: A semisynthetic analog of PACLITAXEL used in the treatment of locally advanced or metastatic BREAST NEOPLASMS and NON-SMALL CELL LUNG CANCER.. docetaxel anhydrous : A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group. | 2.1 | 1 | 0 | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing agent |
isofuranodiene isofuranodiene: structure | 4.38 | 3 | 0 | | |
sb 203580 [no description available] | 2.04 | 1 | 0 | imidazoles; monofluorobenzenes; pyridines; sulfoxide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent |
3-octanone 3-octanone : A dialkyl ketone that is octane in which the two methylene protons at position 3 have been replaced by an oxo group. | 2.03 | 1 | 0 | dialkyl ketone | antifeedant; biomarker; fungal metabolite; human urinary metabolite; insect attractant; plant metabolite; toxin |
bortezomib [no description available] | 7.6 | 1 | 0 | amino acid amide; L-phenylalanine derivative; pyrazines | antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor |
(+)-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). | 2.25 | 1 | 0 | cadinene; delta-cadinene | |
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). | 2.21 | 1 | 0 | | |
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. | 2.03 | 1 | 0 | p-menth-4(8)-en-3-one | |
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 | 2.1 | 1 | 0 | cinnamic acid | plant metabolite |
palmitoleic acid hexadecenoate : A long-chain unsaturated fatty acid anion that is the conjugate base of hexadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. | 2.25 | 1 | 0 | hexadec-9-enoic acid | algal metabolite; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; human blood serum metabolite |
cubenol cubenol: from callus cultures of Chamomilla recutita (Asteraceae) | 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. | 3.08 | 4 | 0 | | |
geraniol [no description available] | 2.25 | 1 | 0 | 3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol | allergen; fragrance; plant metabolite; volatile oil component |
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. | 2.11 | 1 | 0 | enal; monoterpenoid; polyprenal | 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. | 3.35 | 1 | 0 | olefinic compound; phytocannabinoid; resorcinols | antimicrobial agent; plant metabolite |
sesquiterpenes [no description available] | 16.97 | 96 | 1 | | |
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. | 3.64 | 2 | 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 |
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. | 2.11 | 1 | 0 | epoxide | metabolite |
tamoxifen [no description available] | 7.07 | 1 | 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 |
quercetin [no description available] | 3.11 | 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 |
humulene humulene: structure given in first source. (1E,4E,8E)-alpha-humulene : The (1E,4E,8E)-isomer of alpha-humulene. | 2.5 | 2 | 0 | alpha-humulene | |
cinnamyl acetate cinnamyl acetate: structure in first source. cinnamyl acetate : An acetate ester resulting from the formal condensation of cinnamyl alcohol with acetic acid. Found in cinnamon leaf oil. | 2.1 | 1 | 0 | acetate ester | plant metabolite |
alpha-ocimene [no description available] | 2.17 | 1 | 0 | | |
beta-ocimene beta-ocimene : The trans-stereoisomer of ocimene.. (Z)-beta-ocimene : A beta-ocimene that consists of octa-1,3,6-triene bearing two methyl substituents at positions 3 and 7 (the 3Z-isomer). | 2.5 | 2 | 0 | beta-ocimene | plant metabolite |
caryophyllene caryophyllene: RN given refers to cpd without isomeric designation; structure given in first source | 4.04 | 12 | 0 | | |
arsenic Arsenic: A shiny gray element with atomic symbol As, atomic number 33, and atomic weight 75. It occurs throughout the universe, mostly in the form of metallic arsenides. Most forms are toxic. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), arsenic and certain arsenic compounds have been listed as known carcinogens. (From Merck Index, 11th ed) | 3.11 | 1 | 0 | metalloid atom; pnictogen | micronutrient |
germacrene d germacrene D: RN in 9th CI Form Index for unspecified stereoisomer: 37839-63-7 | 3.38 | 6 | 0 | | |
pepstatin pepstatin: inhibits the aspartic protease endothiapepsin | 2.06 | 1 | 0 | pentapeptide; secondary carboxamide | bacterial metabolite; EC 3.4.23.* (aspartic endopeptidase) inhibitor |
germacrene a germacrene A: RN given for (S-(E,E))-isomer; structure in first source | 7.31 | 1 | 0 | germacrene; sesquiterpene | |
bisabolol bisabolol: monocyclic sesquiterpene alcohol with strong bacteriocidal effects, especilly against M. Tuberc.; isolated from seed plant Populus tacamacaha; RN given refers to cpd without isomeric desigation | 2.13 | 1 | 0 | | |
cadinol cadinol: from callus cultures of Chamomilla recutita (Asteraceae) | 2.57 | 2 | 0 | | |
calamenene calamenene: from the New Zealand Liverwort Lepidolaena hodgsoniae; structure in first source | 2.25 | 1 | 0 | | |
cedrene cedrene: major constituent of cedarwood oil. cedr-8-ene : A sesquiterpene that is cedrane which has a double bond between positions 8 and 9. | 2.11 | 1 | 0 | bridged compound; carbotricyclic compound; polycyclic olefin; sesquiterpene | human urinary metabolite; volatile oil component |
alpha-bulnesene alpha-bulnesene: platelet-activating factor receptor antagonist from Pogostemon cablin; structure in first source | 2.1 | 1 | 0 | | |
germacrone germacrone: isolated from Curcuma wenyujin | 4.1 | 4 | 0 | germacrane sesquiterpenoid; olefinic compound | androgen antagonist; anti-inflammatory agent; antifeedant; antifungal agent; antimicrobial agent; antineoplastic agent; antioxidant; antitussive; antiviral agent; apoptosis inducer; autophagy inducer; hepatoprotective agent; insecticide; neuroprotective agent; plant metabolite; volatile oil component |
curdione curdione: from Curcuma wenyujin; structure in first source | 3.55 | 2 | 0 | germacrane sesquiterpenoid | |
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. | 4.5 | 6 | 0 | beta-elemene | antineoplastic agent |
cabazitaxel cabazitaxel: an antineoplastic agent; structure in first source. cabazitaxel : A tetracyclic diterpenoid that is 10-deacetylbaccatin III having O-methyl groups attached at positions 7 and 10 as well as an O-(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl group attached at position 13. Acts as a microtubule inhibitor, binds tubulin and promotes microtubule assembly and simultaneously inhibits disassembly. | 7.31 | 1 | 0 | tetracyclic diterpenoid | antineoplastic agent; microtubule-stabilising agent |
curcumol [no description available] | 3.58 | 2 | 0 | sesquiterpenoid | |
bisacurone bisacurone: an NSAID isolated from Curcuma longa; structure in first source | 3.18 | 1 | 0 | | |
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. | 2.06 | 1 | 0 | | |
stearates Stearates: Salts and esters of the 18-carbon saturated, monocarboxylic acid--stearic acid. | 2.1 | 1 | 0 | | |
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone: an interleukin-1beta converting enzyme (ICE)-like protease inhibitor | 2.06 | 1 | 0 | | |
alismol alismol: isolated from Alismatis Rhizoma; structure given in first source | 2.13 | 1 | 0 | | |
nedaplatin nedaplatin: structure given in first source | 7.41 | 1 | 0 | | |