8-Hydroxygenistein

Details

Top
Internal ID 997f2fc8-28fb-4cb7-866f-a47bb3f1659c
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones
IUPAC Name 5,7,8-trihydroxy-3-(4-hydroxyphenyl)chromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)9-6-21-15-12(13(9)19)10(17)5-11(18)14(15)20/h1-6,16-18,20H
InChI Key ZKZCRGBCWBCSNJ-UHFFFAOYSA-N
Popularity 16 references in papers

Physical and Chemical Properties

Top
Molecular Formula C15H10O6
Molecular Weight 286.24 g/mol
Exact Mass 286.04773803 g/mol
Topological Polar Surface Area (TPSA) 107.00 Ų
XlogP 2.30

Synonyms

Top
13539-27-0
5,7,8-trihydroxy-3-(4-hydroxyphenyl)chromen-4-one
5,7,8-Trihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
BRN 1294503
4',5,7,8-Tetrahydroxyisoflavone
Isoflavone, 4',5,7,8-tetrahydroxy-
3-(4-Hydroxyphenyl)-5,7,8-trihydroxy-4H-1-benzopyran-4-one
SCHEMBL572094
DTXSID40159329
4H-1-Benzopyran-4-one, 3-(4-hydroxyphenyl)-5,7,8-trihydroxy-

2D Structure

Top
2D Structure of 8-Hydroxygenistein

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.53% 91.11%
CHEMBL242 Q92731 Estrogen receptor beta 94.90% 98.35%
CHEMBL2581 P07339 Cathepsin D 94.86% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.47% 94.00%
CHEMBL3194 P02766 Transthyretin 92.44% 90.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.03% 89.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 91.83% 99.15%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 87.61% 91.71%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.89% 86.33%
CHEMBL3038469 P24941 CDK2/Cyclin A 86.09% 91.38%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.46% 95.56%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 85.35% 95.64%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 81.65% 95.78%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.38% 90.71%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

Top
PubChem 5492944
LOTUS LTS0166032
wikiData Q104945703