| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
gamma-aminobutyric acid
gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system.. gamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4. | 1.98 | 1 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid | human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule |
chlorine
chloride : A halide anion formed when chlorine picks up an electron to form an an anion. | 1.98 | 1 | 0 | halide anion;
monoatomic chlorine | cofactor;
Escherichia coli metabolite;
human 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 |
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. | 2.13 | 1 | 0 | phosphocholines;
phospholipid | anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor |
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 | |
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 |
4-(4-nitrobenzyl)pyridine
[no description available] | 2.07 | 1 | 0 | | |
camptothecin
NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source | 2.47 | 2 | 0 | delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite |
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 | |
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 |
taxodione
taxodione: structure | 2.43 | 2 | 0 | diterpenoid | |
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 | |
sugiol
sugiol: diterpene with anti-inflammatory activity from Calocedrus formosana bark; structure in first source. sugiol : An abietane diterpenoid that is ferruginol in which the methylene group para to the phenolic hydroxy group has been substituted by an oxo group. | 2.78 | 3 | 0 | abietane diterpenoid;
carbotricyclic compound;
cyclic terpene ketone;
meroterpenoid;
phenols | antineoplastic agent;
antioxidant;
antiviral agent;
plant metabolite;
radical scavenger |
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 | |
tingenone
tingenone: quinonoid triterpene isolated from Euonymus tingens | 2.37 | 2 | 0 | | |
tanshinone
tanshinone: from root of Salvia miltiorrhiza Bunge; RN given refers to tanshinone I; cardioprotective agent and neuroprotective agent | 2.06 | 1 | 0 | abietane diterpenoid | anticoronaviral agent |
aethiopinone
aethiopinone: structure in first source | 2.01 | 1 | 0 | | |
miltirone
miltirone: from Salvis miltiorrhiza Bunge; central benzodiazepine receptor ligand; structure given in first source | 2.06 | 1 | 0 | abietane diterpenoid | |
cryptotanshinone
cryptotanshinone: from Salvia miltiorrhiza | 2.06 | 1 | 0 | abietane diterpenoid | anticoronaviral agent |
tanshinone ii a
tashinone IIA: a cardiovascular agent with antineoplastic activity; isolated from Salvia miltiorrhiza; structure in first source | 2.06 | 1 | 0 | abietane diterpenoid | |
miconidin
miconidin: found in Primula; a precursor to primin; inhibits growth in Trypanosoma cruzi | 1.96 | 1 | 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 | |
malabaricone a
malabaricone A: from Myristica malabarica (rampatri), has antipromastigote activity; structure in first source | 3.17 | 1 | 0 | | |
ferruginol
ferruginol: structure in first source. ferruginol : An abietane diterpenoid that is abieta-8,11,13-triene substituted by a hydroxy group at positions 12. | 3.15 | 5 | 0 | abietane diterpenoid;
carbotricyclic compound;
meroterpenoid;
phenols | antibacterial agent;
antineoplastic agent;
plant metabolite;
protective agent |
royleanone
royleanone: from root of Salvia officinalis; structure given in first source | 3.14 | 5 | 0 | | |
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 | 3.54 | 2 | 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 |
naphthoquinones
Naphthoquinones: Naphthalene rings which contain two ketone moieties in any position. They can be substituted in any position except at the ketone groups. | 2.01 | 1 | 0 | | |
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 |
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. | 2.13 | 1 | 0 | antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic | antiamoebic agent;
antiprotozoal drug;
bacterial 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 | | |
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 | | |
abietane
[no description available] | 2.31 | 1 | 0 | diterpene;
terpenoid fundamental parent | |
beta-sitosterone
beta-sitosterone: from Torreya jackii | 3.17 | 1 | 0 | | |
1-oxomiltirone
1-oxomiltirone: from roots of the Iranian medicinal plant Perovskia abrotanoides; structure in first source | 2.06 | 1 | 0 | | |
2-methoxyjuglone
2-methoxyjuglone: from Juglan; structure in first source | 3.17 | 1 | 0 | | |
levomepromazine maleate
6-hydroxysalvinolone: from Salvia chorassanica; structure in first source | 2.13 | 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 |
neuropeptide y
Neuropeptide Y: A 36-amino acid peptide present in many organs and in many sympathetic noradrenergic neurons. It has vasoconstrictor and natriuretic activity and regulates local blood flow, glandular secretion, and smooth muscle activity. The peptide also stimulates feeding and drinking behavior and influences secretion of pituitary hormones. | 2.03 | 1 | 0 | | |
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 |
picrotoxin
Picrotoxin: A noncompetitive antagonist at GABA-A receptors and thus a convulsant. Picrotoxin blocks the GAMMA-AMINOBUTYRIC ACID-activated chloride ionophore. Although it is most often used as a research tool, it has been used as a CNS stimulant and an antidote in poisoning by CNS depressants, especially the barbiturates.. picrotoxin : A mixture consisting of equimolar amounts of picrotoxinin and picrotin found in the climbing plant Anamirta cocculus. | 1.98 | 1 | 0 | | |
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 |
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 | | |
phenanthrenes
Phenanthrenes: POLYCYCLIC AROMATIC HYDROCARBONS composed of three fused BENZENE rings.. phenanthrenes : Any benzenoid aromatic compound that consists of a phenanthrene skeleton and its substituted derivatives thereof. | 1.98 | 1 | 0 | | |