Ovaliflavanone A

Details

• Internal ID: f318e8dc-2f8c-42d2-90bd-0a7942cdd1aa
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones
• IUPAC Name: 7-hydroxy-6,8-bis(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
• InChI: InChI=1S/C25H28O3/c1-16(2)10-12-19-14-21-22(26)15-23(18-8-6-5-7-9-18)28-25(21)20(24(19)27)13-11-17(3)4/h5-11,14,23,27H,12-13,15H2,1-4H3
• InChI Key: QRCTUFJCBXMBPP-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₂₈O₃
• Molecular Weight: 376.50 g/mol
• Exact Mass: 376.20384475 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 6.40

Synonyms

• CHEBI:166613
• LMPK12140011
• 7-hydroxy-6,8-bis(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one

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	99.50%	91.11%
CHEMBL2581	P07339	Cathepsin D	97.68%	98.95%
CHEMBL1951	P21397	Monoamine oxidase A	96.97%	91.49%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.26%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.84%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	93.02%	85.14%
CHEMBL3401	O75469	Pregnane X receptor	89.34%	94.73%
CHEMBL221	P23219	Cyclooxygenase-1	89.03%	90.17%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.53%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.74%	96.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.71%	89.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.00%	99.23%

Plants that contains it

• Millettia peguensis

Cross-Links

• PubChem: 11111594
• LOTUS: LTS0080343
• wikiData: Q105226187