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

Details

• Internal ID: a733c26d-8085-462d-89c4-da194efbb782
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids
• IUPAC Name: 8-[5-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
• SMILES (Canonical): COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)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)O)C4=C(C=CC(=C4)C5CC(=O)C6=C(C=C(C=C6O5)O)O)O
• InChI: InChI=1S/C31H22O10/c1-39-17-5-2-14(3-6-17)25-13-24(38)30-22(36)11-21(35)28(31(30)41-25)18-8-15(4-7-19(18)33)26-12-23(37)29-20(34)9-16(32)10-27(29)40-26/h2-11,13,26,32-36H,12H2,1H3
• InChI Key: LNCNPVIQJBSDBZ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₁H₂₂O₁₀
• Molecular Weight: 554.50 g/mol
• Exact Mass: 554.12129689 g/mol
• Topological Polar Surface Area (TPSA): 163.00 Ų
• XlogP: 5.10

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	99.08%	91.11%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	98.13%	99.15%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	96.14%	94.00%
CHEMBL2581	P07339	Cathepsin D	95.63%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.95%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	94.88%	89.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	93.98%	97.09%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	93.47%	96.21%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	92.60%	99.23%
CHEMBL1929	P47989	Xanthine dehydrogenase	92.54%	96.12%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	91.21%	86.92%
CHEMBL308	P06493	Cyclin-dependent kinase 1	90.30%	91.73%
CHEMBL3194	P02766	Transthyretin	90.16%	90.71%
CHEMBL4208	P20618	Proteasome component C5	90.01%	90.00%
CHEMBL3438	Q05513	Protein kinase C zeta	89.93%	88.48%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	89.59%	85.11%
CHEMBL5608	Q16288	NT-3 growth factor receptor	89.06%	95.89%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.34%	96.09%
CHEMBL242	Q92731	Estrogen receptor beta	88.31%	98.35%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.05%	86.33%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	86.64%	96.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.58%	94.45%
CHEMBL1907	P15144	Aminopeptidase N	85.51%	93.31%
CHEMBL3192	Q9BY41	Histone deacetylase 8	85.49%	93.99%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.30%	99.17%
CHEMBL4051	P13569	Cystic fibrosis transmembrane conductance regulator	85.24%	95.71%
CHEMBL4630	O14757	Serine/threonine-protein kinase Chk1	84.52%	97.03%
CHEMBL5284	Q96RR4	CaM-kinase kinase beta	83.27%	89.23%
CHEMBL1951	P21397	Monoamine oxidase A	82.26%	91.49%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	82.15%	95.78%
CHEMBL2094127	P06493	Cyclin-dependent kinase 1/cyclin B	82.07%	96.00%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	81.65%	92.62%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	81.43%	97.14%
CHEMBL4940	P07195	L-lactate dehydrogenase B chain	81.06%	95.53%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	80.55%	91.71%

Plants that contains it

• Cycas beddomei

Cross-Links

• PubChem: 11455695
• LOTUS: LTS0185831
• wikiData: Q105154264