7,5'-Dihydroxy-2'-methoxyisoflavone

Details

• Internal ID: 426e9bb8-3971-4b35-a5f8-f7d8fdc2c143
• Taxonomy: Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones
• IUPAC Name: 7-hydroxy-3-(5-hydroxy-2-methoxyphenyl)chromen-4-one
• InChI: InChI=1S/C16H12O5/c1-20-14-5-3-9(17)6-12(14)13-8-21-15-7-10(18)2-4-11(15)16(13)19/h2-8,17-18H,1H3
• InChI Key: BCOAHUDCGHXIHI-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₂O₅
• Molecular Weight: 284.26 g/mol
• Exact Mass: 284.06847348 g/mol
• Topological Polar Surface Area (TPSA): 76.00 Ų
• XlogP: 2.40

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

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	97.48%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	96.08%	95.56%
CHEMBL2581	P07339	Cathepsin D	94.87%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.66%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.89%	89.00%
CHEMBL2535	P11166	Glucose transporter	91.64%	98.75%
CHEMBL1255126	O15151	Protein Mdm4	90.57%	90.20%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.69%	94.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.57%	99.17%
CHEMBL2002	P12268	Inosine-5'-monophosphate dehydrogenase 2	85.11%	98.21%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	84.68%	85.14%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.73%	99.23%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	82.56%	89.62%

Plants that contains it

• Caragana conferta

Cross-Links

• PubChem: 50907453
• LOTUS: LTS0059874
• wikiData: Q104923533