| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
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 |
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 |
camptothecin
NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source | 2.08 | 1 | 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 | |
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). | 2.25 | 1 | 0 | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising 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 |
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 | |
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 | | |
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 | | |
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 | | |
chaetoviridin a
chaetoviridin A: from Chaetomium globosum; structure in first source. chaetoviridin A : An azaphilone that is 6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a chloro group at position 5, a 3-hydroxy-2-methylbutanoyl group at position 9, a methyl group at position 6a and a 3-methylpent-1-en-1yl group at position 3. Isolated from Chaetomium globosum, it exhibits natifungal activity against plant pathogenic fungi. | 2.52 | 2 | 0 | azaphilone;
beta-hydroxy ketone;
enone;
gamma-lactone;
organic heterotricyclic compound;
organochlorine compound;
secondary alcohol | antifungal agent;
Chaetomium metabolite |
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 |
4'-epichaetoviridin A
4'-epichaetoviridin A : An azaphilone that is the 4'-epimer of chaetoviridin A. It has been isolated from Chaetomium globosum. | 2.48 | 2 | 0 | azaphilone;
beta-hydroxy ketone;
enone;
gamma-lactone;
organic heterotricyclic compound;
organochlorine compound;
secondary alcohol | 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 | | |