| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
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. | 2.03 | 1 | 0 | alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound | amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite |
pyrazinamide
pyrazinecarboxamide : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of pyrazinoic acid (pyrazine-2-carboxylic acid) with ammonia. A prodrug for pyrazinoic acid, pyrazinecarboxamide is used as part of multidrug regimens for the treatment of tuberculosis. | 3.17 | 1 | 0 | monocarboxylic acid amide;
N-acylammonia;
pyrazines | antitubercular agent;
prodrug |
metformin
Metformin: A biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. (From Martindale, The Extra Pharmacopoeia, 30th ed, p289). metformin : A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1. | 2.17 | 1 | 0 | guanidines | environmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic |
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. | 3.17 | 1 | 0 | 3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline | |
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. | 2.13 | 1 | 0 | carbamate ester;
indole alkaloid | antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic |
liriodenine
liriodenine: structure given in first source. liriodenine : An oxoaporphine alkaloid that is 4,5,6,6a-tetradehydronoraporphin-7-one substituted by a methylenedioxy group across positions 1 and 2. It is isolated from Annona glabra and has been shown to exhibit antimicrobial and cytotoxic activities. | 3.17 | 1 | 0 | alkaloid antibiotic;
cyclic ketone;
organic heteropentacyclic compound;
oxacycle;
oxoaporphine alkaloid | antifungal agent;
antimicrobial agent;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite |
ethambutol
Ethambutol: An antitubercular agent that inhibits the transfer of mycolic acids into the cell wall of the tubercle bacillus. It may also inhibit the synthesis of spermidine in mycobacteria. The action is usually bactericidal, and the drug can penetrate human cell membranes to exert its lethal effect. (From Smith and Reynard, Textbook of Pharmacology, 1992, p863). ethambutol : An ethylenediamine derivative that is ethane-1,2-diamine in which one hydrogen attached to each of the nitrogens is sutstituted by a 1-hydroxybutan-2-yl group (S,S-configuration). It is a bacteriostatic antimycobacterial drug, effective against Mycobacterium tuberculosis and some other mycobacteria. It is used (as the dihydrochloride salt) in combination with other antituberculous drugs in the treatment of pulmonary and extrapulmonary tuberculosis; resistant strains of M. tuberculosis are readily produced if ethambutol is used alone. | 3.17 | 1 | 0 | ethanolamines;
ethylenediamine derivative | antitubercular agent;
environmental contaminant;
xenobiotic |
7-methyljuglone
7-methyljuglone: antineoplastic from roots of Euclea natalensis and Drosera aliciae; structure in first source | 3.17 | 1 | 0 | hydroxy-1,4-naphthoquinone | |
acarbose
[no description available] | 2.17 | 1 | 0 | tetrasaccharide derivative | EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
geroprotector;
hypoglycemic agent |
betulinic acid
[no description available] | 3.17 | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite |
pinocembrin
pinocembrin : A dihydroxyflavanone in which the two hydroxy groups are located at positions 5 and 7. A natural product found in Piper sarmentosum and Cryptocarya chartacea. | 3.17 | 1 | 0 | (2S)-flavan-4-one;
dihydroxyflavanone | antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent |
2-hydroxychavicol
2-hydroxychavicol: antimutagen from betel leaf; structure given in first source | 2.05 | 1 | 0 | | |
inermin
inermin: phytoalexin produced in plants after injection with fungi; RN given refers to (cis-(+-))-isomer; RN for cpd without isomeric designation; structure. (-)-maackiain : The (-)-enantiomer of maackiain. | 3.17 | 1 | 0 | maackiain | |
diffractaic acid
difractaic acid: from Lichen, Usnea steineri; active against Gram-positive, multidrug-resistant bacteria; structure in first source | 3.17 | 1 | 0 | carbonyl compound | |
malabaricone c
malabaricone C: from maize (Myristica fragrans); structure given in first source | 3.35 | 6 | 0 | butanone | metabolite |
malabaricone b
malabaricone B: from maize (Myristica fragrans); structure given in first source | 3.35 | 6 | 0 | | |
ascididemin
ascididemin: can be viewed as a fused phenanthroline with quinoline; from the Mediterranean ascidian Cystodytes dellechiajei; structure in first source | 3.17 | 1 | 0 | | |
pimaric acid
pimaric acid: RN given refers to (D)-isomer; structure | 3.17 | 1 | 0 | diterpenoid | |
altholactone
altholactone: structure in first source | 3.17 | 1 | 0 | furopyran | |
squalene
Addavax: an oil-water nanoemulsion and adjuvant containing squalene, Tween 80, and sorbitane trioleate | 3.17 | 1 | 0 | triterpene | human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
3,7-dimethoxyflavone
3,7-dimethoxyflavone: structure given in first source | 3.17 | 1 | 0 | ether;
flavonoids | |
methyl caffeate
methyl caffeate: from plant Gaillardia pulchella. methyl caffeate : An alkyl caffeate ester formed by the formal condensation of caffeic acid with methyl alcohol. | 3.17 | 1 | 0 | alkyl caffeate ester;
methyl ester | |
tocopherylquinone
tocopherylquinone: RN refers to (3R-(3R*,7R*,11R*))-isomer; structure | 3.17 | 1 | 0 | | |
6,7-dehydroroyleanone
6,7-dehydroroyleanone: diterpene abietane quinone isolated from Salvia moorcraftiana or Lepechinia bullata (both Lamiaceae); Rn given from CA Index Guide; RN not in Chemline 12/84; structure given in first source | 3.17 | 1 | 0 | | |
horminone
horminone: RN refers to (4bS-(4balpha,8abeta,10beta))-isomer; from root of Salvia officinalis; structure given in second source. horminone : An abietane diterpenoid that is abieta-8,12-diene substituted by hydroxy groups at positions 7 and 12 and oxo groups at positions 11 and 14 (the 7alpha stereoisomer) . | 3.17 | 1 | 0 | | |
ethionamide
Ethionamide: A second-line antitubercular agent that inhibits mycolic acid synthesis.. ethionamide : A thiocarboxamide that is pyridine-4-carbothioamide substituted by an ethyl group at position 2. A prodrug that undergoes metabolic activation by conversion to the corresponding S-oxide. | 3.17 | 1 | 0 | pyridines;
thiocarboxamide | antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug |
trans-phytol
trans-phytol: structure in first source | 3.17 | 1 | 0 | diterpenoid;
long-chain primary fatty alcohol | algal metabolite;
plant metabolite;
schistosomicide drug |
scopoletin
[no description available] | 3.17 | 1 | 0 | hydroxycoumarin | plant growth regulator;
plant metabolite |
isobavachalcone
isobavachalcone: RN given for (E)-isomer; structure in first source. isobavachalcone : A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4' and a prenyl group at position 3'. | 3.17 | 1 | 0 | chalcones;
polyphenol | antibacterial agent;
metabolite;
platelet aggregation inhibitor |
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. | 3.17 | 1 | 0 | aromatic ether;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite |
ethyl 4-methoxycinnamate
ethyl 4-methoxycinnamate: an antifungal agent isolated from Curcumba zedoaria | 3.17 | 1 | 0 | | |
ginkgolic acid
[no description available] | 2.21 | 1 | 0 | hydroxybenzoic acid | |
pellitorine
pellitorine: consists of piper sylvaticum Roxb.; structure | 3.17 | 1 | 0 | fatty amide | metabolite |
ergosterol-5,8-peroxide
ergosterol-5,8-peroxide: also inhibits sulfatase; isolated from fungus Cercospora kikuchii; structure given in first source. ergosterol peroxide : An ergostanoid that is ergosta-6,22-dien-3-ol with a peroxy group between positions 5 and 8 (the 3beta,5alpha,8alpha,22E stereoisomer). Isolated from Ganoderma lucidum and Cordyceps sinensis, it exhibits antimycobacterial, trypanocidal and antineoplastic activities. | 3.17 | 1 | 0 | 3beta-sterol;
ergostanoid;
organic peroxide;
phytosterols | antimycobacterial drug;
antineoplastic agent;
metabolite;
trypanocidal drug |
furanoheliangolide
furanoheliangolide: structure in first source | 3.17 | 1 | 0 | | |
3,7,11,15-tetramethyl-2-hexadecen-1-ol
3,7,11,15-tetramethyl-2-hexadecen-1-ol: a fragrance ingredient; structure in first source | 3.17 | 1 | 0 | | |
beta-sitosterone
beta-sitosterone: from Torreya jackii | 3.17 | 1 | 0 | | |
2-methoxyjuglone
2-methoxyjuglone: from Juglan; structure in first source | 3.17 | 1 | 0 | | |
azadiradione
azadiradione: structure in first source. azadiradione : A tetracyclic triterpenoid that is 4,4,8-trimethylandrosta-1,14-diene substituted by oxo groups at positions 3 and 16, an acetoxy group at position 7 and a furan-3-yl group at position 17. Isolated from Azadirachta indica, it exhibits antimycobacterial and anti-inflammatory activities. | 3.17 | 1 | 0 | acetate ester;
cyclic terpene ketone;
furans;
limonoid;
tetracyclic triterpenoid | anti-inflammatory agent;
antimycobacterial drug;
plant metabolite |
thuggacin a
thuggacin A: structure in first source | 3.17 | 1 | 0 | | |
(1S,3aR,4S,6S,6aS,9aS,9bS)-9a-isocyano-6-(2-isocyano-2-methylpropyl)-1,4-dimethyl-7-methylidene-2,3,3a,4,5,6,6a,8,9,9b-decahydro-1H-phenalene
[no description available] | 3.17 | 1 | 0 | diterpenoid | metabolite |
chaetoviridin E
chaetoviridin E : An azaphilone that is 6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a chloro group at position 5, a methyl group at position 6a, a 2-methylbut-2-enoyl group at position 9 and a 3-methylpent-1-en-1-yl group at position 3. It has been isolated from Chaetomium globosum. | 3.17 | 1 | 0 | azaphilone;
enone;
gamma-lactone;
organic heterotricyclic compound;
organochlorine compound | Chaetomium metabolite |
centratherin
centratherin: from Eremanthus eriopus (Asteraceae); structure in first source | 3.17 | 1 | 0 | | |
epoxyazadiradione
epoxyazadiradione: limonoid from neem tree Azadirachta indica; RN given for (5alpha,7alpha,13alpha,14beta,15beta,17alpha)-isomer; structure in first source. epoxyazadiradione : A limonoid that is azadiradione with an epoxy group across positions 14 and 15. Isolated from Azadirachta indica it exhibits insecticidal activitry against mosquitoes. | 3.17 | 1 | 0 | acetate ester;
cyclic terpene ketone;
epoxide;
furans;
limonoid;
pentacyclic triterpenoid | anti-inflammatory agent;
insecticide;
plant metabolite |
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. | 2.17 | 1 | 0 | ascorbic acid;
vitamin C | coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent |
sch 419560
Sch 419560: isolated from Pseudomonas fluorescens; structure in first source | 3.17 | 1 | 0 | | |
sansanmycin
sansanmycin: isolated from Streptomyces; structure in first source | 3.17 | 1 | 0 | | |
myxopyronin a
myxopyronin A: from Myxococcus fulvus; structure given in first source | 3.17 | 1 | 0 | | |