| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
4-hydroxybenzaldehyde
[no description available] | 2.11 | 1 | 0 | hydroxybenzaldehyde | EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite |
hydroquinone
[no description available] | 2.11 | 1 | 0 | benzenediol;
hydroquinones | antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent |
1-anilino-8-naphthalenesulfonate
1-anilino-8-naphthalenesulfonate: RN given refers to parent cpd. 8-anilinonaphthalene-1-sulfonic acid : A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8. | 2.25 | 1 | 0 | aminonaphthalene;
naphthalenesulfonic acid | fluorescent probe |
aminoglutethimide
Aminoglutethimide: An aromatase inhibitor that is used in the treatment of advanced BREAST CANCER.. aminoglutethimide : A dicarboximide that is a six-membered cyclic compound having ethyl and 4-aminophenyl substituents at the 3-position. | 2 | 1 | 0 | dicarboximide;
piperidones;
substituted aniline | adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
kojic acid
[no description available] | 2.25 | 1 | 0 | 4-pyranones;
enol;
primary alcohol | Aspergillus metabolite;
EC 1.10.3.1 (catechol oxidase) inhibitor;
EC 1.10.3.2 (laccase) inhibitor;
EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 1.4.3.3 (D-amino-acid oxidase) inhibitor;
NF-kappaB inhibitor;
skin lightening agent |
ficusin
Ficusin: A naturally occurring furocoumarin, found in PSORALEA. After photoactivation with UV radiation, it binds DNA via single and double-stranded cross-linking.. psoralen : The simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia. | 2.81 | 3 | 0 | psoralens | plant metabolite |
propylparaben
Parabens: Methyl, propyl, butyl, and ethyl esters of p-hydroxybenzoic acid. They have been approved by the FDA as antimicrobial agents for foods and pharmaceuticals. (From Hawley's Condensed Chemical Dictionary, 11th ed, p872) | 2.06 | 1 | 0 | benzoate ester;
paraben;
phenols | antifungal agent;
antimicrobial agent |
methylparaben
methylparaben: used as a preservative in cosmetics but potentiates UV-induced damage of skin; RN given refers to parent cpd. methylparaben : A 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries. | 2.06 | 1 | 0 | paraben | antifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite |
protocatechualdehyde
protocatechualdehyde: found in wheat grains, wheat seedlings, & other plants; RN given refers to parent cpd; see also rancinamycins; structure | 2.11 | 1 | 0 | dihydroxybenzaldehyde | |
aloe emodin
aloe emodin: structure distinct from emodin; this does not mean emodin from aloe. Aloe emodin : A dihydroxyanthraquinone that is chrysazin carrying a hydroxymethyl group at position 3. It has been isolated from plant species of the genus Aloe. | 2.25 | 1 | 0 | aromatic primary alcohol;
dihydroxyanthraquinone | antineoplastic agent;
plant metabolite |
angelicin
angelicin: used as tranquillizer; sedative; or anticonvulsant; structure | 2.57 | 2 | 0 | furanocoumarin | |
caproamide
[no description available] | 2.25 | 1 | 0 | primary carboxamide;
primary fatty amide | |
camptothecin
NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source | 2.11 | 1 | 0 | delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite |
chloroprene
Chloroprene: Toxic, possibly carcinogenic, monomer of neoprene, a synthetic rubber; causes damage to skin, lungs, CNS, kidneys, liver, blood cells and fetuses. Synonym: 2-chlorobutadiene. | 2.02 | 1 | 0 | chloroolefin | |
viridicatin
viridicatin: structure. viridicatin : A hydroxyquinolone that is 3-hydroxyuinolin-2(1H)-one which is substituted at position 4 by a phenyl groups. Isolated from the mycelium of several Penicillium species, it exhibits strong antibiotic activity against M. tuberculosis and also against B. subtilis, S. aureus and S. cerevisiae. | 2.25 | 1 | 0 | hydroxyquinoline | antibacterial agent;
Aspergillus metabolite;
marine metabolite;
Penicillium 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. | 2.25 | 1 | 0 | (2S)-flavan-4-one;
dihydroxyflavanone | antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent |
avarol
avarol: RN given refers to parent cpd; extract from Dysidea avara(sea sponge) | 2.25 | 1 | 0 | | |
avarone
avarone: antileukemic agent; isolated from Dysidea avara | 2.25 | 1 | 0 | | |
skyrin
skyrin: main pigment of toxin rice fungus Penicillium islandicum; RN given refers to parent cpd; structure | 2.25 | 1 | 0 | biaryl;
trihydroxyanthraquinone | |
altersolanol a
altersolanol A: isolated from fermentation product of fungus Alternaria porri(Ellis) Ciferri;RN given refers to (1R-(1alpha,2beta,3beta,4alpha))-isomer; structure given in first source | 2.25 | 1 | 0 | pentahydroxyanthraquinone | |
xanthorrhizol
xanthorrhizol: structure in first source | 2.25 | 1 | 0 | sesquiterpenoid | |
aeroplysinin i
aeroplysinin I: isolated from sponge Aplysina sp.; RN refers to (1S-trans)-isomer; structure given in second source | 2.25 | 1 | 0 | tertiary alcohol | |
loliolide
loliolide: RN given refers to (6S-cis)-isomer | 2 | 1 | 0 | benzofurans | metabolite |
matairesinol
matairesinol: lignan that is a central precursor in plants in the biosynthesis of numerous lignans (coordinate with specific); RN refers to (3R-trans)-isomer. (-)-matairesinol : A lignan that is gamma-butyrolactone in which the 3 and 4 positions are substituted by 4-hydroxy-3-methoxybenzyl groups (the 3R,4R-diastereomer). | 2.25 | 1 | 0 | gamma-lactone;
lignan;
polyphenol | angiogenesis inhibitor;
anti-asthmatic agent;
phytoestrogen;
plant metabolite |
aromadedrin
aromadedrin: inhibits protein kinase C; the dihydro makes it a flavone rather than a flavonol. (+)-dihydrokaempferol : A tetrahydroxyflavanone having hydroxy groupa at the 3-, 4'-, 5- and 7-positions. | 2 | 1 | 0 | 4'-hydroxyflavanones;
dihydroflavonols;
secondary alpha-hydroxy ketone;
tetrahydroxyflavanone | metabolite |
macrosporin
macrosporin: isolated from fermentation product of fungus Alternaria porri (Ellis) Ciferri; structure given in first source | 2.25 | 1 | 0 | | |
moracin m
moracin M: has been isolated from Morus alba L.; structure in first source | 2 | 1 | 0 | benzofurans | |
isobavachin
isobavachin: RN given for (S)-isomer; structure in first source | 2.25 | 1 | 0 | flavanones | |
benzofurans
Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring. | 2.52 | 2 | 0 | | |
marmesin
marmesin: RN given refers to (S)-isomer; nodakenetin is the (R)-isomer | 2 | 1 | 0 | marmesin | |
naringenin
(S)-naringenin : The (S)-enantiomer of naringenin. | 2 | 1 | 0 | (2S)-flavan-4-one;
naringenin | expectorant;
plant metabolite |
acarbose
[no description available] | 2.11 | 1 | 0 | amino cyclitol;
glycoside | |
resveratrol
trans-resveratrol : A resveratrol in which the double bond has E configuration. | 2 | 1 | 0 | resveratrol | antioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger |
chalcone
trans-chalcone : The trans-isomer of chalcone. | 2.31 | 1 | 0 | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
isoliquiritigenin
[no description available] | 2.52 | 2 | 0 | chalcones | antineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist |
xanthohumol
xanthohumol: from hop plant, Humulus lupulus. xanthohumol : A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and a prenyl group at position 3'. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells. | 3.21 | 1 | 0 | aromatic ether;
chalcones;
polyphenol | anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite |
xanthoangelol
xanthoangelol: from Angelica keiskei; structure given in first source; RN given refers to (E,E)-isomer | 3.61 | 2 | 0 | | |
epalrestat
epalrestat : A monocarboxylic acid that is 1,3-thiazolidine which is substituted on the nitrogen by a carboxymethyl group, at positions 2 and 4 by thioxo and oxo groups, respectively, and at position 5 by a 2-methyl-3-phenylprop-2-en-1-ylidene group. It is an inhibitor of aldose reductase (which catalyses the conversion of glucose to sorbitol) and is used for the treatment of some diabetic complications, including neuropathy. | 3.21 | 1 | 0 | monocarboxylic acid;
thiazolidines | EC 1.1.1.21 (aldehyde reductase) inhibitor |
beauvericin
[no description available] | 2.25 | 1 | 0 | cyclodepsipeptide | antibiotic insecticide;
antifungal agent;
antineoplastic agent;
apoptosis inhibitor;
fungal metabolite;
ionophore;
mycotoxin;
P450 inhibitor |
8-hydroxymanzamine a
8-hydroxymanzamine A: active against HIV-II; isolated from the sponge Pachypellina; structure in first source. 8-hydroxymanzamine A : An alkaloid that is manzamine A with a hydroxy substituent at position 8. Isolated from Pachypellina and Acanthostrongylophora, it exhibits inhibitory activity against Glycogen Synthase Kinase-3 (EC 2.7.11.26). | 2.25 | 1 | 0 | alkaloid;
beta-carbolines;
isoquinolines | anti-HSV-2 agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
metabolite |
quercetin
[no description available] | 2.11 | 1 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger |
genistein
[no description available] | 2.11 | 1 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor |
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'. | 3.51 | 7 | 0 | chalcones;
polyphenol | antibacterial agent;
metabolite;
platelet aggregation inhibitor |
7-hydroxycoumarin
7-oxycoumarin: derivatives have anti-oxidant properties. umbelliferone : A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7. | 2.31 | 1 | 0 | hydroxycoumarin | fluorescent probe;
food component;
plant metabolite |
psoralidin
psoralidin : A member of the class of coumestans that is coumestan substituted by hydroxy groups at positions 3 and 9 and a prenyl group at position 2 respectively. | 2.52 | 2 | 0 | coumestans;
delta-lactone;
polyphenol | estrogen receptor agonist;
plant metabolite |
broussonin a
broussonin A: has antiviral activity; isolated from Anemarrhena asphodeloides; structure in first source | 2 | 1 | 0 | | |
broussonin b
broussonin B: structure in first source | 2 | 1 | 0 | | |
corylin
corylin: from Psoralea corylifolia (Leguminosae), has osteoblastic proliferation stimulating activity; structure in first source | 2.25 | 1 | 0 | | |
lupiwighteone
lupiwighteone: has antineoplastic activity; structure in first source | 2.11 | 1 | 0 | isoflavones | |
Isolicoflavonol
[no description available] | 2 | 1 | 0 | flavones | |
neobavaisoflavone
neobavaisoflavone: isolated from Psoralea corylifolia; structure in first source. neobavaisoflavone : A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone with an additonal hydroxy group at position 4' and a prenyl group at position 3'. Isolated from seeds of Psoralea corylifolia, it exhibits inhibitory activity against DNA polymerase and platelet aggregation. | 2.57 | 2 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
plant metabolite;
platelet aggregation inhibitor |
Isoliquiritigenin 4,4'-dimethyl ether
[no description available] | 3.21 | 1 | 0 | chalcones | |
alternariol monomethyl ether
djalonensone : A benzochromenone that is alternariol in which the hydroxy group at position 9 has been converted into the corresponding methyl ether. A natural product found in Chaetomium globosum as well as being one of the two most important compounds belonging to the group of Altenaria mycotoxins. | 2.25 | 1 | 0 | aromatic ether;
benzochromenone | antifungal agent;
fungal metabolite;
mycotoxin |
luffariellolide
luffariellolide: structure given in first source; a partially reversible phospholipase A2 inhibitor; a major metabolite of the sponge Luffariella; do not confuse with luffolide, a minor metabolite of the same species | 2.25 | 1 | 0 | diterpene lactone | |
bakuchiol
bakuchiol: chief component of Psoralea corylifolia Linn; structure | 2.66 | 2 | 0 | | |
isowighteone
isowighteone : A member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4' and a prenyl group at position 3'. It has been isolated from Ficus mucuso. | 2.11 | 1 | 0 | 7-hydroxyisoflavones | plant metabolite |
4-hydroxylonchocarpin
4-hydroxylonchocarpin: structure in first source | 2.02 | 1 | 0 | | |
4-hydroxyderricin
4-hydroxyderricin: from Angelica keiskei; RN given refers to (E)-isomer; structure in first source | 3.21 | 1 | 0 | chalcones | |
broussochalcone a
broussochalcone A: RN given for (E)-isomer; inhibits neutrophil respiratory burst; structure in first source | 3.54 | 2 | 0 | | |
morachalcone a
morachalcone A: tyrosinase inhibitor from the wood of Artocarpus heterophyllus; structure in first source | 2.47 | 2 | 0 | chalcones | |
2,4,2',4'-Tetrahydroxychalcone
[no description available] | 2 | 1 | 0 | chalcones | |
bavachinin
bavachinin: do not confuse with bavachin | 2.48 | 2 | 0 | flavanones | |
aerothionin
[no description available] | 2.25 | 1 | 0 | isoxazoles | metabolite |
bavachin
bavachin: from Psoralea corylifolia (Leguminosae), has osteoblastic proliferation stimulating activity; do not confuse with bavachinin | 2.77 | 3 | 0 | | |
roquefortine
[no description available] | 2.25 | 1 | 0 | pyrroloindole | |
corylifol a
corylifol A: isolated from Psoralea corylifolia; structure in first source | 2.25 | 1 | 0 | | |
mulberrofuran g
mulberrofuran G: from Mulberry tree; Diels-Alder type adduct; structure given in first source | 2 | 1 | 0 | | |
warfarin
Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group. | 2.52 | 2 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |