| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
chloroacetic acid
chloroacetic acid: urinary metabolite of vinyl chloride; RN given refers to parent cpd; structure. chloroacetic acid : A chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent. | 2.02 | 1 | 0 | chlorocarboxylic acid;
haloacetic acid | alkylating agent;
herbicide |
choline
[no description available] | 1.99 | 1 | 0 | cholines | allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite |
dibenzofuran
Dibenzofurans: Compounds that include the structure of dibenzofuran.. dibenzofurans : Any organic heterotricyclic compound based on a dibenzofuran skeleton and its substituted derivatives thereof.. dibenzofuran : A mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions. | 1.99 | 1 | 0 | dibenzofurans;
mancude organic heterotricyclic parent;
polycyclic heteroarene | xenobiotic |
imidazole
imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1. | 2.41 | 2 | 0 | imidazole | |
pentachlorophenol
PENTA: structure given in first source | 2.05 | 1 | 0 | aromatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes | human xenobiotic metabolite |
bw 284 c 51
[no description available] | 1.99 | 1 | 0 | | |
1-methylimidazole
1-methyl-1H-imidazole : A 1H-imidazole having a methyl substituent at the N-1 position. | 1.99 | 1 | 0 | imidazoles | |
tacrine
Tacrine: A cholinesterase inhibitor that crosses the blood-brain barrier. Tacrine has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimer's disease and other central nervous system disorders.. tacrine : A member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease. | 1.99 | 1 | 0 | acridines;
aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
atrazine
[no description available] | 2.1 | 1 | 0 | chloro-1,3,5-triazine;
diamino-1,3,5-triazine | environmental contaminant;
herbicide;
xenobiotic |
benzo(a)pyrene
Benzo(a)pyrene: A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke.. benzo[a]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. | 1.95 | 1 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent;
mouse metabolite |
dapi
DAPI: RN given refers to parent cpd. | 2.05 | 1 | 0 | indoles | fluorochrome |
pentamidine
Pentamidine: Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of PNEUMOCYSTIS pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects.. pentamidine : A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease. | 1.99 | 1 | 0 | aromatic ether;
carboxamidine;
diether | anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic |
sb 202190
4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole: structure given in first source; inhibits p38 MAP kinase | 2.02 | 1 | 0 | imidazoles;
organofluorine compound;
phenols;
pyridines | apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
thyroxine
Thyroxine: The major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (MONOIODOTYROSINE) and the coupling of iodotyrosines (DIIODOTYROSINE) in the THYROGLOBULIN. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form TRIIODOTHYRONINE which exerts a broad spectrum of stimulatory effects on cell metabolism.. thyroxine : An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions. | 2.04 | 1 | 0 | 2-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine | antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone |
diethylnitrosamine
Diethylnitrosamine: A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties.. N-nitrosodiethylamine : A nitrosamine that is N-ethylethanamine substituted by a nitroso group at the N-atom. | 2.1 | 1 | 0 | nitrosamine | carcinogenic agent;
hepatotoxic agent;
mutagen |
physostigmine
Physostigmine: A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity. | 1.99 | 1 | 0 | carbamate ester;
indole alkaloid | antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic |
ethinyl estradiol
Ethinyl Estradiol: A semisynthetic alkylated ESTRADIOL with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally, and is often used as the estrogenic component in ORAL CONTRACEPTIVES.. 17alpha-ethynylestradiol : A 3-hydroxy steroid that is estradiol substituted by a ethynyl group at position 17. It is a xenoestrogen synthesized from estradiol and has been shown to exhibit high estrogenic potency on oral administration. | 3.23 | 1 | 0 | 17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound | xenoestrogen |
2,3,4,6-tetrachlorophenol
2,3,4,6-tetrachlorophenol: RN given refers to parent cpd; see also record for tetrachlorophenol with locants for chloro groups not specified. 2,3,4,6-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 6. | 2.05 | 1 | 0 | tetrachlorophenol | xenobiotic metabolite |
phencyclidine
Phencyclidine: A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to KETAMINE in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE). As a drug of abuse, it is known as PCP and Angel Dust.. phencyclidine : A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group. Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects. | 2.13 | 1 | 0 | benzenes;
piperidines | anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug |
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. | 3.61 | 2 | 0 | bisphenol | endocrine disruptor;
environmental contaminant;
xenobiotic;
xenoestrogen |
neostigmine bromide
neostigmine bromide : The bromide salt of neostigmine. | 1.99 | 1 | 0 | bromide salt | |
pregnenolone
[no description available] | 2.07 | 1 | 0 | 20-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
C21-steroid | human metabolite;
mouse metabolite |
dibenzo(1,4)dioxin
dibenzo(1,4)dioxin: structure | 2.42 | 2 | 0 | dibenzodioxine;
heteranthrene;
mancude organic heterotricyclic parent;
oxacycle;
polycyclic heteroarene | |
edrophonium bromide
[no description available] | 1.99 | 1 | 0 | | |
perfluorooctanoic acid
perfluorooctanoic acid: RN given refers to parent cpd. perfluorooctanoic acid : A fluoroalkanoic acid that is perfluorinated octanoic acid. | 2.1 | 1 | 0 | fluoroalkanoic acid | carcinogenic agent;
endocrine disruptor;
environmental contaminant;
surfactant;
xenobiotic |
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 |
azomycin
azomycin: RN given refers to parent cpd with specified locant; structure | 1.99 | 1 | 0 | C-nitro compound;
imidazoles | antitubercular agent |
tricaprylin
tricaprylin: 13C-labeled trioctanoin used in breath tests to detect fat malabsorption. trioctanoin : A triglyceride obtained by acylation of the three hydroxy groups of glycerol by octanoic acid. Used as an alternative energy source to glucose for patients with mild to moderate Alzheimer's disease. | 2.1 | 1 | 0 | octanoate ester;
triglyceride | anticonvulsant;
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. | 2.25 | 1 | 0 | dialdehyde | biomarker |
2-methylimidazole
[no description available] | 1.99 | 1 | 0 | | |
chlormequat
Chlormequat: A plant growth regulator that is commonly used on ornamental plants.. chlormequat : A quaternary ammonium ion that is choline in which the hydroxy group has been replaced by a chlorine. Its salts (particularly the chloride salt, known as chlormequat chloride) are used as plant growth retardants. | 1.99 | 1 | 0 | quaternary ammonium ion | plant growth retardant |
3-hydroxyphenyltrimethylammonium
3-hydroxyphenyltrimethylammonium: RN given refers to parent cpd; structure | 1.99 | 1 | 0 | | |
1-methyl-2-nitroimidazole
[no description available] | 1.99 | 1 | 0 | | |
2,3,7,8-tetrachlorodibenzodioxine
Tetrachlorodibenzodioxin: A mixture of isomers. | 1.99 | 1 | 0 | polychlorinated dibenzodioxine | |
2,4,2',4'-tetrachlorobiphenyl
2,4,2',4'-tetrachlorobiphenyl: structure. 2,2',4,4'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which each of the phenyl groups is substituted at positions 2 and 4 by chlorines. | 1.99 | 1 | 0 | dichlorobenzene;
tetrachlorobiphenyl | |
butyrylcholine
butyrylcholine: RN given refers to parent cpd | 1.99 | 1 | 0 | acylcholine | |
octachlorodibenzo-4-dioxin
octachlorodibenzo-4-dioxin: RN given refers to unlabeled parent cpd | 1.99 | 1 | 0 | polychlorinated dibenzodioxine | |
butyrylthiocholine
Butyrylthiocholine: A sulfur-containing analog of butyrylcholine which is hydrolyzed by butyrylcholinesterase to butyrate and thiocholine. It is used as a reagent in the determination of butyrylcholinesterase activity.. butyrylthiocholine : A quaternary ammonium ion obtained by the formal condensation of the carboxy group of butyric acid with the thiol group of thiocholine. It is used as a reagent for determination of butyrylcholinesterase activity. | 1.99 | 1 | 0 | quaternary ammonium ion | |
zinc sulfate
Zinc Sulfate: A compound given in the treatment of conditions associated with zinc deficiency such as acrodermatitis enteropathica. Externally, zinc sulfate is used as an astringent in lotions and eye drops. (Reynolds JEF(Ed): Martindale: The Extra Pharmacopoeia (electronic version). Micromedex, Inc, Englewood, CO, 1995). zinc sulfate : A metal sulfate compound having zinc(2+) as the counterion. | 2.08 | 1 | 0 | metal sulfate;
zinc molecular entity | fertilizer |
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. | 2.02 | 1 | 0 | benzenes;
phenyl acetates | |
2-chlorodibenzofuran
2-chlorodibenzofuran: structure | 1.99 | 1 | 0 | | |
alkenes
[no description available] | 2.04 | 1 | 0 | | |
1,2,3,4-tetrachlorodibenzodioxin
1,2,3,4-tetrachlorodibenzodioxin: structure given in first source | 1.99 | 1 | 0 | polychlorinated dibenzodioxine | |
pcb 118
[no description available] | 1.99 | 1 | 0 | dichlorobenzene;
pentachlorobiphenyl;
trichlorobenzene | |
3,4,3',4'-tetrachlorobiphenyl
3,4,3',4'-tetrachlorobiphenyl: RN given refers to parent cpd. 3,3',4,4'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which the hydrogens at position 3 and 4 on each phenyl group are replaced by chlorines. | 1.99 | 1 | 0 | dichlorobenzene;
tetrachlorobiphenyl | |
2,3,3',4,4'-pentachlorobiphenyl
[no description available] | 1.99 | 1 | 0 | dichlorobenzene;
pentachlorobiphenyl;
trichlorobenzene | |
2,3,4,5-tetrachlorobiphenyl
tetrachlorobiphenyl : Any polychlorobiphenyl with molecular formula C12H6Cl4. | 1.99 | 1 | 0 | tetrachlorobenzene;
tetrachlorobiphenyl | |
1,2,7,8-tetrachlorodibenzo-p-dioxin
1,2,7,8-tetrachlorodibenzo-p-dioxin: structure in first source | 1.99 | 1 | 0 | | |
2,4,5,2',4',5'-hexachlorobiphenyl
[no description available] | 1.99 | 1 | 0 | hexachlorobiphenyl | |
thiocholine
Thiocholine: A mercaptocholine used as a reagent for the determination of CHOLINESTERASES. It also serves as a highly selective nerve stain. | 1.99 | 1 | 0 | | |
2,3,3',4,4',5-hexachlorobiphenyl
[no description available] | 1.99 | 1 | 0 | dichlorobenzene;
hexachlorobiphenyl;
tetrachlorobenzene | |
2,8-dichlorodibenzo-4-dioxin
2,8-dichlorodibenzo-4-dioxin: metabolite for 2,3,7,8-TCDD | 1.99 | 1 | 0 | | |
1,2,3,4,7,8-hexachlorodibenzodioxin
1,2,3,4,7,8-hexachlorodibenzodioxin: structure given in first source | 1.99 | 1 | 0 | polychlorinated dibenzodioxine | |
1,2,4-trichlorodibenzo-1,4-dioxin
1,2,4-trichlorodibenzo-1,4-dioxin: structure given in first source | 1.99 | 1 | 0 | | |
1,2,3,7,8-pentachlorodibenzo-p-dioxin
[no description available] | 1.99 | 1 | 0 | polychlorinated dibenzodioxine | |
2,3,7,8-tetrachlorodibenzofuran
2,3,7,8-tetrachlorodibenzofuran: toxic product which was generated in Italy due to an explosion in a plant manufacturing 2,4,5-trichlorophenol | 1.99 | 1 | 0 | polychlorinated dibenzofuran | |
2,3,4,7,8-pentachlorodibenzofuran
2,3,4,7,8-pentachlorodibenzofuran: structure given in first source | 1.99 | 1 | 0 | polychlorinated dibenzofuran | |
1,2,3,7,8-pentachlorodibenzofuran
1,2,3,7,8-pentachlorodibenzofuran: structure given in first source; RN given refers to parent cpd | 1.99 | 1 | 0 | polychlorinated dibenzofuran | |
1,2,3,6,7,8-hexachlorodibenzodioxin
1,2,3,6,7,8-hexachlorodibenzodioxin: contaminant of pentachlorophenol | 2.02 | 1 | 0 | polychlorinated dibenzodioxine | |
1,2,3,4,7,8-hexachlorodibenzofuran
[no description available] | 1.99 | 1 | 0 | polychlorinated dibenzofuran | |
2,3,4,4'5-pentachlorobiphenyl
[no description available] | 1.99 | 1 | 0 | monochlorobenzenes;
pentachlorobiphenyl;
tetrachlorobenzene | |
1,3-di-(4-imidazolino-2-methoxyphenoxy)propane
1,3-di-(4-imidazolino-2-methoxyphenoxy)propane: structure given in first source | 1.99 | 1 | 0 | | |
3,4,5,3',4'-pentachlorobiphenyl
3,3',4,4',5-pentachlorobiphenyl : A pentachlorobiphenyl in which the chlorines are located at the 3, 4, 5, 3', and 4' positions. | 1.99 | 1 | 0 | pentachlorobiphenyl;
trichlorobenzene | |
propamidine
propamidine: structure given in first source. propamidine : A polyether that is the bis(4-guanidinophenyl) ether of propane-1,3-diol. Used (as its isethionate salt) for the treatment of minor eye or eyelid infections, such as conjunctivitis and blepharitis. | 1.99 | 1 | 0 | aromatic ether;
guanidines;
polyether | antimicrobial agent;
antiseptic drug |
norharman
norharman: RN given refers to parent cpd. beta-carboline : The parent compound of the beta-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring. | 1.99 | 1 | 0 | beta-carbolines;
mancude organic heterotricyclic parent | fungal metabolite;
marine metabolite |
hexamidine
hexamidine : A polyether that is the bis(4-guanidinophenyl) ether of hexane-1,6-diol. | 1.99 | 1 | 0 | aromatic ether;
guanidines;
polyether | antimicrobial agent;
antiseptic drug |
2-ethylimidazole
[no description available] | 1.99 | 1 | 0 | | |
triazoles
Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms. | 2.08 | 1 | 0 | 1,2,3-triazole | |
2-phenylimidazole
[no description available] | 1.99 | 1 | 0 | | |
2-aminoimidazole
2-aminoimidazole: from catabolism of arginine | 1.99 | 1 | 0 | | |
hexyltrimethylammonium
hexyltrimethylammonium: RN given refers to parent cpd | 1.99 | 1 | 0 | | |
trimethyl(4-oxopentyl)ammonium
trimethyl(4-oxopentyl)ammonium: RN given refers to parent cpd; acetylcholine antag. N,N,N-trimethyl-N-(4-oxopentyl)ammonium : A quaternary ammonium ion in which the substituents on nitrogen are methyl (three) and 4-oxopentyl. | 1.99 | 1 | 0 | quaternary ammonium ion | |
2,5-dihydro-2-(4-methoxyphenyl)-3h-pyrazolo(4,3-c)quinolin-3-one
[no description available] | 1.99 | 1 | 0 | | |
beta-carboline-3-carboxylic acid ethyl ester
beta-carboline-3-carboxylic acid ethyl ester: isolated from brain tissue & urine; extremely potent displacer of diazepam from brain benzodiazepam receptors; structure in first source | 1.99 | 1 | 0 | beta-carbolines | |
beta-carboline-3-carboxylic acid methyl ester
beta-carboline-3-carboxylic acid methyl ester: structure given in first source | 1.99 | 1 | 0 | beta-carbolines | |
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. | 2.5 | 2 | 0 | fatty acid anion 8:0;
straight-chain saturated fatty acid anion | human metabolite;
Saccharomyces cerevisiae metabolite |
1,3-di(4-imidazolinophenoxyl)propane
1,3-di(4-imidazolinophenoxyl)propane: structure given in first source | 1.99 | 1 | 0 | | |
3-ethoxy-beta-carboline
3-ethoxy-beta-carboline: high affinity benzodiazepine receptor ligand with partial inverse agonist properties | 1.99 | 1 | 0 | | |
tert-butyl beta-carboline-3-carboxylate
tert-butyl beta-carboline-3-carboxylate: benzodiazepine receptor antagonist | 1.99 | 1 | 0 | | |
butamidine
butamidine: RN refers to HCl; structure in first source | 1.99 | 1 | 0 | | |
sb 203580
[no description available] | 2.02 | 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 |
benzofurans
Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring. | 2.91 | 4 | 0 | | |
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. | 1.95 | 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 |
retinol
Vitamin A: Retinol and derivatives of retinol that play an essential role in metabolic functioning of the retina, the growth of and differentiation of epithelial tissue, the growth of bone, reproduction, and the immune response. Dietary vitamin A is derived from a variety of CAROTENOIDS found in plants. It is enriched in the liver, egg yolks, and the fat component of dairy products.. vitamin A : Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication.. all-trans-retinol : A retinol in which all four exocyclic double bonds have E- (trans-) geometry.. retinol : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified). | 1.95 | 1 | 0 | retinol;
vitamin A | human metabolite;
mouse metabolite;
plant metabolite |
3-chlorodibenzofuran
3-chlorodibenzofuran: structure given in first source | 1.99 | 1 | 0 | | |
1-(4-hydroxybenzyl)imidazole-2-thiol
1-(4-hydroxybenzyl)imidazole-2-thiol: RN & structure given in first source; RN not in Chemline 3/87 | 1.99 | 1 | 0 | | |
3-propoxy-beta-carboline
3-propoxy-beta-carboline: structure in first source | 1.99 | 1 | 0 | | |
retinol palmitate
retinol palmitate: RN given refers to parent cpd; structure. retinyl palmitate : A palmitate ester of retinol with undefined geometry about the C=C bonds.. all-trans-retinyl palmitate : An all-trans-retinyl ester obtained by formal condensation of the carboxy group of palmitic (hexadecanoic acid) with the hydroxy group of all-trans-retinol. It is used in cosmetic products to treat various skin disorders such as acne, skin aging, wrinkles, dark spots, and also protect against psoriasis. | 1.95 | 1 | 0 | all-trans-retinyl ester;
retinyl palmitate | antioxidant;
Escherichia coli metabolite;
human xenobiotic metabolite |
cholecalciferol
Cholecalciferol: Derivative of 7-dehydroxycholesterol formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. It differs from ERGOCALCIFEROL in having a single bond between C22 and C23 and lacking a methyl group at C24.. calciol : A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone. | 2.08 | 1 | 0 | D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone | geroprotector;
human metabolite |
harman
harman: a beta-carboline; RN given refers to parent cpd; structure. harman : An indole alkaloid fundamental parent with a structure of 9H-beta-carboline carrying a methyl substituent at C-1. It has been isolated from the bark of Sickingia rubra, Symplocus racemosa, Passiflora incarnata, Peganum harmala, Banisteriopsis caapi and Tribulus terrestris, as well as from tobacco smoke. It is a specific, reversible inhibitor of monoamine oxidase A. | 1.99 | 1 | 0 | harmala alkaloid;
indole alkaloid fundamental parent;
indole alkaloid | anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite |
1-Ethyl-9H-pyrido[3,4-b]indole
[no description available] | 1.99 | 1 | 0 | harmala alkaloid | |
sk&f 102698
[no description available] | 1.99 | 1 | 0 | | |