| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
acetone
methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H). | 2.03 | 1 | 0 | ketone body;
methyl ketone;
propanones;
volatile organic compound | EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent |
methylene chloride
Methylene Chloride: A chlorinated hydrocarbon that has been used as an inhalation anesthetic and acts as a narcotic in high concentrations. Its primary use is as a solvent in manufacturing and food technology.. dichloromethane : A member of the class of chloromethanes that is methane in which two of the hydrogens have been replaced by chlorine. A dense, non-flammible colourless liquid at room temperature (b.p. 40degreeC, d = 1.33) which is immiscible with water, it is widely used as a solvent, a paint stripper, and for the removal of caffeine from coffee and tea. | 2.13 | 1 | 0 | chloromethanes;
volatile organic compound | carcinogenic agent;
polar aprotic solvent;
refrigerant |
decalin
decalin: RN given refers to cpd without isomeric designation; don't confuse with decaline which has a nitrogen at the juncture of the two rings;. trans-decalin : The trans-stereoisomer of decalin.. decalin : An ortho-fused bicyclic hydrocarbon that is the decahydro- derivative of naphthalene. | 7.03 | 1 | 0 | ortho-fused bicyclic hydrocarbon | solvent |
2-naphthol
2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent. | 4.49 | 3 | 0 | naphthol | antinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger |
oleanolic acid
[no description available] | 7.03 | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | plant metabolite |
abietic acid
abietic acid : An abietane diterpenoid that is abieta-7,13-diene substituted by a carboxy group at position 18. | 3.16 | 1 | 0 | abietane diterpenoid;
monocarboxylic acid | plant metabolite |
4-methylimidazole
4-methylimidazole: RN given refers to parent cpd. 4-methylimidazole : Imidazole substituted at position 4 by a methyl group. | 2.13 | 1 | 0 | imidazoles | carcinogenic agent;
reaction intermediate |
molybdenum
Molybdenum: A metallic element with the atomic symbol Mo, atomic number 42, and atomic weight 95.95. It is an essential trace element, being a component of the enzymes xanthine oxidase, aldehyde oxidase, and nitrate reductase. | 2.13 | 1 | 0 | chromium group element atom | micronutrient |
fluorosulfonic acid
perfluorosulfonic acid: sulfonated tetrafluoroethylene-based fluoropolymer–copolymer | 2.04 | 1 | 0 | sulfur oxoacid | NMR solvent |
fluorides
[no description available] | 2.04 | 1 | 0 | halide anion;
monoatomic fluorine | |
cedrol
cedrol: a cyclic terpenoid from cedarwood oil; 8-epicedrol is an epimer | 3.16 | 1 | 0 | cedrane sesquiterpenoid;
tertiary alcohol | |
sclareol
sclareol: structure given in first source. sclareol : A labdane diterpenoid that is labd-14-ene substituted by hydroxy groups at positions 8 and 13. It has been isolated from Salvia sclarea. | 9.79 | 5 | 0 | labdane diterpenoid | antifungal agent;
antimicrobial agent;
apoptosis inducer;
fragrance;
plant metabolite |
tretinoin
Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE).. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).. all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry. | 2.01 | 1 | 0 | retinoic acid;
vitamin A | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule |
squalene
Addavax: an oil-water nanoemulsion and adjuvant containing squalene, Tween 80, and sorbitane trioleate | 2.25 | 1 | 0 | triterpene | human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
terbinafine
[no description available] | 2.25 | 1 | 0 | acetylenic compound;
allylamine antifungal drug;
enyne;
naphthalenes;
tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor;
sterol biosynthesis inhibitor |
beta-farnesene
beta-farnesene: structure given in first source | 3.7 | 1 | 0 | beta-farnesene | |
sclareolide
sclareolide: has antineoplastic activity; synthesized by oxidation of sclareol; a minor constituent of Arnica angustifolia and Sideritis nutans; structure in first source | 8.85 | 3 | 0 | | |
abienol
abienol: isolated from tobacco Nicotiana tabacum; structure in first source | 3.21 | 1 | 0 | | |
cholestanol
Cholestanol: A cholesterol derivative found in human feces, gallstones, eggs, and other biological matter. | 3.35 | 1 | 0 | cholestanoid | |
(2e,4e,6e,10e)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid
(2E,4E,6E,10E)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid: an acyclic retinoid that suppresses hepatocellular carcinoma recurrence; structure in first source | 2.01 | 1 | 0 | | |
isocupressic acid
isocupressic acid: a labdane that induces premature LABOR | 3.16 | 1 | 0 | | |
stemodin
stemodin: structure given in first source; isolated from Stemodia maritima; a major stemodane diterpene; RN given for (2alpha,5alpha,9beta,13alpha,17beta)-isomer | 3.16 | 1 | 0 | | |
stemodinone
stemodinone: RN given for (4aS-(4aalpha,6abeta,8alpha,9alpha,11aalpha,11bbeta))-isomer; structure in first source | 3.16 | 1 | 0 | | |
ambrein
ambrein: a degraded triterpene; ambrein, cholesterol and benzoic acid are major components of ambergris; from intestinal secretion of sperm blue whale (Pyseter carodon). ambrein : A triterpenoid alcohol that is a constituent of ambergris, an intestinal secretion of the sperm whale Physeter catodon. | 3.76 | 2 | 0 | tertiary alcohol;
triterpenoid | hypoglycemic agent;
mammalian metabolite |