| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
protocatechuic acid
protocatechuic acid: RN given refers to parent cpd; structure. 3,4-dihydroxybenzoic acid : A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4. | 2.17 | 1 | 0 | catechols;
dihydroxybenzoic acid | antineoplastic agent;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
coumarin
2H-chromen-2-one: coumarin derivative | 2.17 | 1 | 0 | coumarins | fluorescent dye;
human metabolite;
plant metabolite |
orotic acid
Orotic Acid: An intermediate product in PYRIMIDINE synthesis which plays a role in chemical conversions between DIHYDROFOLATE and TETRAHYDROFOLATE.. orotic acid : A pyrimidinemonocarboxylic acid that is uracil bearing a carboxy substituent at position C-6. | 2.17 | 1 | 0 | pyrimidinemonocarboxylic acid | Escherichia coli metabolite;
metabolite;
mouse 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 |
toluene
methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | 2.07 | 1 | 0 | methylbenzene;
toluenes;
volatile organic compound | cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent |
uric acid
Uric Acid: An oxidation product, via XANTHINE OXIDASE, of oxypurines such as XANTHINE and HYPOXANTHINE. It is the final oxidation product of purine catabolism in humans and primates, whereas in most other mammals URATE OXIDASE further oxidizes it to ALLANTOIN.. uric acid : An oxopurine that is the final oxidation product of purine metabolism.. 6-hydroxy-1H-purine-2,8(7H,9H)-dione : A tautomer of uric acid having oxo groups at C-2 and C-8 and a hydroxy group at C-6.. 7,9-dihydro-1H-purine-2,6,8(3H)-trione : An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8. | 2.31 | 1 | 0 | uric acid | Escherichia coli metabolite;
human metabolite;
mouse metabolite |
indomethacin
Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis. | 2.15 | 1 | 0 | aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole | analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
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 | |
4-butyrolactone
4-Butyrolactone: One of the FURANS with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent.. tetrahydrofuranone : Any oxolane having an oxo- substituent at any position on the tetrahydrofuran ring.. gamma-butyrolactone : A butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2. | 2.06 | 1 | 0 | butan-4-olide | metabolite;
neurotoxin |
tetrahydrofuran
oxolane : A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen. | 2.07 | 1 | 0 | cyclic ether;
oxolanes;
saturated organic heteromonocyclic parent;
volatile organic compound | polar aprotic solvent |
catechin
Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.. catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.. rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin. (+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. | 2.17 | 1 | 0 | catechin | antioxidant;
plant metabolite |
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 |
emetine
Emetine: The principal alkaloid of ipecac, from the ground roots of Uragoga (or Cephaelis) ipecacuanha or U. acuminata, of the Rubiaceae. It is used as an amebicide in many different preparations and may cause serious cardiac, hepatic, or renal damage and violent diarrhea and vomiting. Emetine inhibits protein synthesis in EUKARYOTIC CELLS but not PROKARYOTIC CELLS.. emetine : A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties. | 2.17 | 1 | 0 | isoquinoline alkaloid;
pyridoisoquinoline | antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor |
azomycin
azomycin: RN given refers to parent cpd with specified locant; structure | 2.25 | 1 | 0 | C-nitro compound;
imidazoles | antitubercular agent |
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 |
calotropin
calotropin: structure in first source | 3.31 | 1 | 0 | cardenolide glycoside | |
helenalin
helenalin: toxic principle of Helenium microcephalum (smallhead sneezeweed); structure. helenalin : A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by a hydroxy group at position 4, methyl groups at positions 4a and 8 and a methylidene group at position 3 (the 3aS,4S,4aR,7aR,8R,9aR stereoisomer).. NF-kappaB inhibitor : An inhibitor of NF-kappaB (nuclear factor kappa-light-chain-enhancer of activated B cells), a protein complex involved in the transcription of DNA. | 2.97 | 4 | 0 | cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone | anti-inflammatory agent;
antineoplastic agent;
metabolite;
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 | |
benzonidazole
benzonidazole: used in treatment of Chagas' disease. benznidazole : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitroimidazol-1-yl)acetic acid with the aromatic amino group of benzylamine. Used for treatment of Chagas disease. | 2.25 | 1 | 0 | C-nitro compound;
imidazoles;
monocarboxylic acid amide | antiprotozoal drug |
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). | 2.17 | 1 | 0 | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent |
etoposide
[no description available] | 2.02 | 1 | 0 | beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound | antineoplastic agent;
DNA synthesis inhibitor |
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 |
artemisinin
(+)-artemisinin : A sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria. | 2.17 | 1 | 0 | organic peroxide;
sesquiterpene lactone | antimalarial;
plant metabolite |
alantolactone
alantolactone: allergenic sesquiterpene lactone; crystalline mixture of alantolactones from group of sesquiterpenes; structure. alantolactone : A sesquiterpene lactone that is 3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2-one bearing two methyl substituents at positions 5 and 8a as well as a methylidene substituent at position 3. | 2.08 | 1 | 0 | naphthofuran;
olefinic compound;
sesquiterpene lactone | antineoplastic agent;
apoptosis inducer;
plant metabolite |
kaurenoic acid
[no description available] | 2.17 | 1 | 0 | ent-kaurane diterpenoid | anti-HIV-1 agent;
antineoplastic agent;
plant metabolite |
dehydrocostus lactone
dehydrocostus lactone : An organic heterotricyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-bis(methylene)decahydoazulen-5-yl group and in which the hydroxy group and the carboxy group have undergone formal condensation to afford the corresponding gamma-lactone. | 2.08 | 1 | 0 | gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
sesquiterpene lactone | antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 2 inhibitor;
metabolite;
trypanocidal drug |
isoalantolactone
isoalantolactone: RN given refers to (3aR-(3aalpha,4aalpha,8abeta,9aalpha))-isomer; structure. isoalantolactone : A sesquiterpene lactone of the eudesmanolide group. It has been isolated from Inula helenium. | 2.08 | 1 | 0 | eudesmane sesquiterpenoid;
sesquiterpene lactone | antifungal agent;
apoptosis inducer;
plant metabolite |
dehydroleucodine
dehydroleucodine: has antimicrobial activity; RN given refers to (3aS-(3aalpha,9aalpha,9bbeta))-isomer | 2.43 | 2 | 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 | |
Mexicanin I
[no description available] | 2.73 | 3 | 0 | sesquiterpene lactone | |
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 | |
parthenolide
[no description available] | 3.87 | 3 | 0 | germacranolide | |
cynaropicrin
cynaropicrin: structure given in first source; RN given for ((3aR-(3aalpha,4alpha,6aalpha,8beta,9aalpha,9bbeta)))-isomer | 2.15 | 1 | 0 | sesquiterpene lactone | |
justicidin a
justicidins: from Justica procumbens | 3.31 | 1 | 0 | lignan | |
arnicolide d
arnicolide D: cytotoxic; from Centipeda minima L.; structure in first source | 2.43 | 2 | 0 | sesquiterpene lactone | |
santamarine
santamarine: sesquiterpene derivative of costunolide. santamarin : A sesquiterpene lactone of the eudesmanolide group. | 2.43 | 2 | 0 | sesquiterpene lactone | |
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 | |
sitosterol, (3beta)-isomer
Sobatum: tradename; active fraction of Solanum trilobatum; reduces side-effects of radiation-induced toxicity. sitosterol : A member of the class of phytosterols that is stigmast-5-ene substituted by a beta-hydroxy group at position 3. | 3.31 | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol | anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor |
malabaricone a
malabaricone A: from Myristica malabarica (rampatri), has antipromastigote activity; structure in first source | 3.17 | 1 | 0 | | |
digitoxin
Digitoxin: A cardiac glycoside sometimes used in place of DIGOXIN. It has a longer half-life than digoxin; toxic effects, which are similar to those of digoxin, are longer lasting. (From Martindale, The Extra Pharmacopoeia, 30th ed, p665). digitoxin : A cardenolide glycoside in which the 3beta-hydroxy group of digitoxigenin carries a 2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl trisaccharide chain. | 3.31 | 1 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
angustibalin
angustibalin: sesquiterpene lactone from Balduina angustifolia (Pursh) Robins; structure | 2.08 | 1 | 0 | sesquiterpene lactone | |
glaucolide b
glaucolide B: sesquiterpene lactone from Veronia eremophila; antimicrobial cpd; structure given in first source; RN from CA Index Guide | 2.17 | 1 | 0 | carboxylic ester;
ketone | |
11alpha,13-dihydrohelenalin
[no description available] | 2.43 | 2 | 0 | sesquiterpene lactone | |
altholactone
altholactone: structure in first source | 3.17 | 1 | 0 | furopyran | |
e-z cinnamic acid
cinnamic acid : A monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia.. trans-cinnamic acid : The E (trans) isomer of cinnamic acid | 2.17 | 1 | 0 | cinnamic acid | plant metabolite |
ferulic acid
ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid. | 2.17 | 1 | 0 | ferulic acids | anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite |
2-hydroxycinnamic acid
trans-2-coumaric acid : The trans-isomer of 2-coumaric acid.. 2-coumaric acid : A monohydroxycinnamic acid in which the hydroxy substituent is located at C-2 of the phenyl ring. | 2.17 | 1 | 0 | 2-coumaric acid;
phenols | antioxidant;
metabolite |
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 |
sesquiterpenes
[no description available] | 3.93 | 11 | 0 | | |
3,7-dimethoxyflavone
3,7-dimethoxyflavone: structure given in first source | 3.17 | 1 | 0 | ether;
flavonoids | |
caffeic acid
trans-caffeic acid : The trans-isomer of caffeic acid. | 2.17 | 1 | 0 | caffeic acid | geroprotector;
mouse metabolite |
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 | |
parthenolide, (1ar-(1ar*,4e,7as*,10as*,10br*))-isomer
[no description available] | 2.17 | 1 | 0 | germacranolide | |
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 |
scopolamine
[no description available] | 2.17 | 1 | 0 | 3-hydroxy carboxylic acid | |
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 |
5'-o-caffeoylquinic acid
trans-5-O-caffeoyl-D-quinic acid : A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 5-hydroxy group of quinic acid. | 2.17 | 1 | 0 | cinnamate ester;
cyclitol carboxylic acid | plant metabolite |
apigetrin
apigetrin: structure given in first source. apigenin 7-O-beta-D-glucoside : A glycosyloxyflavone that is apigenin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. | 2.17 | 1 | 0 | beta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative | antibacterial agent;
metabolite;
non-steroidal anti-inflammatory drug |
rutin
Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders. | 2.17 | 1 | 0 | disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone | antioxidant;
metabolite |
kaempferol
[no description available] | 2.17 | 1 | 0 | 7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone | antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
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 |
cucurbitacin d
cucurbitacin D: toxic constituent in edible gourd; see also records for cucurbitacins & specific cucurbitacins. cucurbitacin D : A cucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at positions 5 and 23. | 2.08 | 1 | 0 | cucurbitacin;
secondary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | |
7-hydroxycoumarin
7-oxycoumarin: derivatives have anti-oxidant properties. umbelliferone : A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7. | 2.17 | 1 | 0 | hydroxycoumarin | fluorescent probe;
food component;
plant metabolite |
budlein a
budlein A: anti-inflammatory and analgesic sesquiterpene lactone from Viguiera robusta; structure in first source | 2.53 | 2 | 0 | sesquiterpenoid | |
costunolide
[no description available] | 2.46 | 2 | 0 | germacranolide;
heterobicyclic compound | anthelminthic drug;
antiinfective agent;
antineoplastic agent;
antiparasitic agent;
antiviral drug;
metabolite |
molephantinin
molephantinin: germacranolide from Elephantopus mollis; RN given refers to (3aR-(3aR*,4S*(E),6E,9Z,11S*,11aS*))-isomer; structure in first source | 2.43 | 2 | 0 | germacranolide | |
amentoflavone
[no description available] | 3.31 | 1 | 0 | biflavonoid;
hydroxyflavone;
ring assembly | angiogenesis inhibitor;
antiviral agent;
cathepsin B inhibitor;
P450 inhibitor;
plant metabolite |
chrysosplenetin b
chrysosplenetin B: constituent of the root of Berneuxia thibetica Decne. chrysosplenetin : A tetramethoxyflavone that is the 3,6,7,3'-tetramethyl ether derivative of quercetagetin. | 3.31 | 1 | 0 | dihydroxyflavone;
tetramethoxyflavone | antiviral agent;
plant metabolite |
galangin
5,7-dihydroxyflavonol: antimicrobial from the twigs of Populus nigra x Populus deltoides; structure in first source. galangin : A 7-hydroxyflavonol with additional hydroxy groups at positions 3 and 5 respectively; a growth inhibitor of breast tumor cells. | 2.17 | 1 | 0 | 7-hydroxyflavonol;
trihydroxyflavone | antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite |
euxanthone
euxanthone : A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1 and 7 and an oxo group at position 9. It has been isolated from Cratoxylum cochinchinense. | 3.31 | 1 | 0 | phenols;
xanthones | metabolite;
plant metabolite |
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. | 4.13 | 2 | 0 | aromatic ether;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite |
myricetin
[no description available] | 2.17 | 1 | 0 | 7-hydroxyflavonol;
hexahydroxyflavone | antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite |
santin
santin: from Tanacetum microphyllum; structure given in first source. santin : A trimethoxyflavone that is flavone substituted by methoxy groups at positions 3, 6 and 4' and hydroxy groups at positions 5 and 7 respectively. | 2.17 | 1 | 0 | dihydroxyflavone;
trimethoxyflavone | plant metabolite |
tamarixetin
tamarixetin: isolated from Costsus spicatus. tamarixetin : A monomethoxyflavone that is quercetin methylated at position O-4'. Isolated from Cyperus teneriffae. | 2.17 | 1 | 0 | 7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone | antioxidant;
metabolite |
3,4-di-o-caffeoylquinic acid
3,4-di-O-caffeoylquinic acid: isolated from Siphonostegia chinensis | 2.17 | 1 | 0 | quinic acid | |
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 |
angiotensin amide
psilostachyin A: has antineoplastic, anti-inflammatory, leishmanicidal, and molluscicidal activities; isolated from Ambrosia psilostachya; structure in first source | 2.08 | 1 | 0 | | |
spiraeoside
spiraeoside: from flowers of Filipendula ulmaria (L.); structure given in first source. quercetin 4'-O-beta-D-glucopyranoside : A quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 4'. | 2.17 | 1 | 0 | beta-D-glucoside;
flavonols;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone | antineoplastic agent;
antioxidant;
plant 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 |
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 | | |
artonin e
artonin E: structure given in first source; isolated from the bark of Artocarpus communis Forst. | 3.31 | 1 | 0 | | |
arglabin
arglabin: a sesquiterpene lactone from the Chinese herb Artemisia myriantha; structure given in first source. arglabin : An organic heterotetracyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-dimethyl-1,3a,4,5,6,7-hexahydroazulen-5-yl group in which the double bond in the 7-membered ring has been epoxidised and in which the hydroxy group and the carboxy group have undergone formal condensation to give the corresponding gamma-lactone. It is found in Artemisia glabella. Arglabin-DMA HCl, the hydrochloride salt of the adduct resulting from the conjugate addition of dimethylamine to the ene-lactone moiety, has been successfully used in Khazakhstan for the treatment of breast, colon, ovarian and lung cancers. | 2.52 | 2 | 0 | epoxide;
gamma-lactone;
organic heterotetracyclic compound;
sesquiterpene lactone | antineoplastic agent;
metabolite |
4,5-di-O-caffeoylquinic acid
[no description available] | 2.17 | 1 | 0 | quinic acid | |
indigo carmine
3,5-di-O-(E)-caffeoylquinic acid: from roots of Lychnophora ericoides; structure in first source. 3,5-di-O-caffeoyl quinic acid : A carboxylic ester that is the diester obtained by the condensation of the hydroxy groups at positions 3 and 5 of (-)-quinic acid with the carboxy group of trans-caffeic acid. Isolated from Brazilian propolis and Suaeda glauca, it exhibits hepatoprotective and cytotoxic activities. | 2.17 | 1 | 0 | | |
beta-escin
Escin: Pentacyclic triterpene saponins, biosynthesized from protoaescigenin and barringtogenol, occurring in the seeds of AESCULUS. It inhibits edema formation and decreases vascular fragility. | 2.17 | 1 | 0 | triterpenoid saponin | |
cadinane
cadinane: structure in first source. cadinane : A sesquiterpene consisting of decalin having two methyl substituents at the 1- and 6-positions, an isopropyl substituent at the 4-position and (1S,4S,4aS,6S,8aS)-configuration. | 7.15 | 1 | 0 | sesquiterpene;
terpenoid fundamental parent | |
beta-sitosterone
beta-sitosterone: from Torreya jackii | 3.17 | 1 | 0 | | |
midostaurin
midostaurin : An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine. | 2.17 | 1 | 0 | benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound | antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor |
gambogic acid
gambogic acid: RN given refers to (1R-(1alpha,1(Z),3abeta,5alpha,11beta,14aS*))-isomer | 3.31 | 1 | 0 | pyranoxanthones | metabolite |
tirotundin
tirotundin: structure in first source | 2.03 | 1 | 0 | | |
cumambrin b
cumambrin B: RN given for (3aR-(3aalpha,4alpha,6alpha,6aalpha,9aalpha,9bbeta))-isomer; isolated from Chrysanthemum boreale; structure in first source | 2.43 | 2 | 0 | | |
chamissonolide
chamissonolide: structure given in first source | 2.46 | 2 | 0 | | |
2-methoxyjuglone
2-methoxyjuglone: from Juglan; structure in first source | 3.17 | 1 | 0 | | |
morelloflavone
morelloflavone: also inhibits cruzain; RN given for (2S-trans)-isomer; structure in first source. (+)-morelloflavone : A biflavonoid found in Rheedia edulis and Garcinia livingstonei. | 3.31 | 1 | 0 | biflavonoid;
hydroxyflavanone;
hydroxyflavone | plant metabolite |
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 |
eudesmanolide
eudesmanolide: structure in first source | 2.15 | 1 | 0 | sesquiterpene lactone | |
15-deoxygoyazensolide
15-deoxygoyazensolide: an NSAID with schistossomicidal and trypanosomicidal activities; structure in first source | 4.17 | 4 | 0 | | |
thuggacin a
thuggacin A: structure in first source | 3.17 | 1 | 0 | | |
eremantholide c
eremantholide C: structure in first source | 2.31 | 1 | 0 | furofuran | |
achalensolide
achalensolide: structure in first source | 2.43 | 2 | 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 | 3.85 | 3 | 0 | | |
lychnopholide
lychnopholide: isolated from Vanillosmopsis erythropappa; structure in first source | 4.04 | 3 | 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 | | |
isoatriplicolide tiglate
isoatriplicolide tiglate: from Paulownia coreana; structure in first source | 2.49 | 2 | 0 | | |
germacranolide
germacranolide: from Artemisia pallens; structure in first source. germacranolide : A sesquiterpene lactone based on germacrane skeleton. | 2.15 | 1 | 0 | | |
agathic acid
agathic acid: labdane; RN given for (1S-(1alpha,4aalpha,5alpha(E),8abeta))-isomer; metabolite of isocupressic acid; structure in first source | 2.17 | 1 | 0 | | |
allopurinol
Allopurinol: A XANTHINE OXIDASE inhibitor that decreases URIC ACID production. It also acts as an antimetabolite on some simpler organisms.. allopurinol : A bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring. | 2.15 | 1 | 0 | nucleobase analogue;
organic heterobicyclic compound | antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger |
myxopyronin a
myxopyronin A: from Myxococcus fulvus; structure given in first source | 3.17 | 1 | 0 | | |