5-Hydroxy-10-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenyl]-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one

Details

• Internal ID: 806f55bb-6129-4a6c-8c47-6dfa70d69498
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids
• IUPAC Name: 5-hydroxy-10-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenyl]-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
• SMILES (Canonical): CC1(C=CC2=C(C3=C(C(=C2O1)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC)O)O)OC(=CC3=O)C7=CC=C(C=C7)OC)O)C
• SMILES (Isomeric): CC1(C=CC2=C(C3=C(C(=C2O1)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC)O)O)OC(=CC3=O)C7=CC=C(C=C7)OC)O)C
• InChI: InChI=1S/C37H28O10/c1-37(2)12-11-22-34(42)33-27(41)17-28(18-5-8-20(43-3)9-6-18)46-36(33)31(35(22)47-37)23-13-19(7-10-24(23)38)29-16-26(40)32-25(39)14-21(44-4)15-30(32)45-29/h5-17,38-39,42H,1-4H3
• InChI Key: UEZGSUUEYWENHE-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₃₇H₂₈O₁₀
• Molecular Weight: 632.60 g/mol
• Exact Mass: 632.16824709 g/mol
• Topological Polar Surface Area (TPSA): 141.00 Ų
• XlogP: 7.00

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	99.80%	91.11%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	99.16%	99.15%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	98.32%	85.14%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	97.23%	94.00%
CHEMBL1951	P21397	Monoamine oxidase A	96.93%	91.49%
CHEMBL2581	P07339	Cathepsin D	96.56%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	95.27%	89.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	95.24%	94.45%
CHEMBL1907	P15144	Aminopeptidase N	93.44%	93.31%
CHEMBL242	Q92731	Estrogen receptor beta	92.92%	98.35%
CHEMBL4208	P20618	Proteasome component C5	92.69%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.03%	95.56%
CHEMBL3194	P02766	Transthyretin	90.96%	90.71%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.71%	86.33%
CHEMBL4051	P13569	Cystic fibrosis transmembrane conductance regulator	87.62%	95.71%
CHEMBL5284	Q96RR4	CaM-kinase kinase beta	87.02%	89.23%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.73%	99.23%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	85.19%	86.92%
CHEMBL4940	P07195	L-lactate dehydrogenase B chain	84.89%	95.53%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	84.74%	96.21%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.16%	95.89%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	83.85%	91.71%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	83.54%	90.71%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.34%	99.17%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	83.30%	85.11%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	82.99%	94.42%
CHEMBL3401	O75469	Pregnane X receptor	82.73%	94.73%
CHEMBL301	P24941	Cyclin-dependent kinase 2	82.63%	91.23%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	82.12%	95.50%
CHEMBL3922	P50579	Methionine aminopeptidase 2	82.06%	97.28%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	81.46%	96.67%
CHEMBL3492	P49721	Proteasome Macropain subunit	80.42%	90.24%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	80.28%	100.00%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	80.08%	97.14%

Plants that contains it

• Calophyllum venulosum

Cross-Links

• PubChem: 10532086
• LOTUS: LTS0080411
• wikiData: Q105271230