8-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxyphenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one

Details

• Internal ID: 030a1986-4856-4f2a-924f-8f658c0a23b5
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids
• IUPAC Name: 8-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxyphenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
• SMILES (Canonical): COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4=C(C=CC(=C4)C5CC(=O)C6=C(C=C(C=C6O5)O)O)O
• SMILES (Isomeric): COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4=C(C=CC(=C4)[C@@H]5CC(=O)C6=C(C=C(C=C6O5)O)O)O
• InChI: InChI=1S/C32H24O10/c1-39-18-6-3-15(4-7-18)25-13-23(37)31-24(38)14-27(40-2)29(32(31)42-25)19-9-16(5-8-20(19)34)26-12-22(36)30-21(35)10-17(33)11-28(30)41-26/h3-11,13-14,26,33-35,38H,12H2,1-2H3/t26-/m0/s1
• InChI Key: KZDNDRBHZYIMSA-SANMLTNESA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₂H₂₄O₁₀
• Molecular Weight: 568.50 g/mol
• Exact Mass: 568.13694696 g/mol
• Topological Polar Surface Area (TPSA): 152.00 Ų
• XlogP: 5.40

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	98.77%	91.11%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	97.90%	99.15%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	96.98%	94.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.96%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	95.67%	89.00%
CHEMBL2581	P07339	Cathepsin D	95.16%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	93.47%	97.09%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	93.43%	96.21%
CHEMBL3438	Q05513	Protein kinase C zeta	92.81%	88.48%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	92.61%	99.23%
CHEMBL3194	P02766	Transthyretin	92.59%	90.71%
CHEMBL4208	P20618	Proteasome component C5	92.32%	90.00%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	91.25%	86.92%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.07%	86.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	90.88%	95.89%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.68%	96.09%
CHEMBL1929	P47989	Xanthine dehydrogenase	89.97%	96.12%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.19%	99.17%
CHEMBL3192	Q9BY41	Histone deacetylase 8	88.97%	93.99%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	88.57%	95.78%
CHEMBL4630	O14757	Serine/threonine-protein kinase Chk1	88.26%	97.03%
CHEMBL1907	P15144	Aminopeptidase N	87.36%	93.31%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	86.59%	85.14%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	85.26%	85.11%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	85.14%	97.14%
CHEMBL2535	P11166	Glucose transporter	84.44%	98.75%
CHEMBL5284	Q96RR4	CaM-kinase kinase beta	84.34%	89.23%
CHEMBL242	Q92731	Estrogen receptor beta	84.24%	98.35%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	83.48%	96.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.90%	94.45%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	82.41%	92.62%
CHEMBL2094127	P06493	Cyclin-dependent kinase 1/cyclin B	82.26%	96.00%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.24%	90.71%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	80.40%	91.79%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	80.34%	91.71%

Plants that contains it

• Metasequoia glyptostroboides

Cross-Links

• PubChem: 162986189
• LOTUS: LTS0156432
• wikiData: Q105148096