2-[3-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]-4-methoxyphenyl]-5-hydroxy-7-methoxychromen-4-one

Details

• Internal ID: 05a3dcaa-4c62-45a3-8966-48e831f57383
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids
• IUPAC Name: 2-[3-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]-4-methoxyphenyl]-5-hydroxy-7-methoxychromen-4-one
• SMILES (Canonical): COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C5=C(C=C4O)OC(CC5=O)C6=CC=C(C=C6)O)O
• SMILES (Isomeric): COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C5=C(C=C4O)O[C@@H](CC5=O)C6=CC=C(C=C6)O)O
• InChI: InChI=1S/C32H24O10/c1-39-18-10-20(34)30-22(36)12-26(42-27(30)11-18)16-5-8-24(40-2)19(9-16)29-21(35)14-28-31(32(29)38)23(37)13-25(41-28)15-3-6-17(33)7-4-15/h3-12,14,25,33-35,38H,13H2,1-2H3/t25-/m0/s1
• InChI Key: ZXANGSXNJUQYEC-VWLOTQADSA-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
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	99.30%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.76%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	97.30%	94.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	96.70%	89.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	96.20%	99.15%
CHEMBL2581	P07339	Cathepsin D	95.41%	98.95%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	94.83%	95.78%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.61%	95.56%
CHEMBL3194	P02766	Transthyretin	92.91%	90.71%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	92.89%	96.21%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.75%	97.09%
CHEMBL3438	Q05513	Protein kinase C zeta	91.32%	88.48%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.04%	96.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	90.91%	99.23%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.34%	86.33%
CHEMBL242	Q92731	Estrogen receptor beta	89.20%	98.35%
CHEMBL5608	Q16288	NT-3 growth factor receptor	89.18%	95.89%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	86.75%	90.71%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.18%	94.45%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	84.28%	86.92%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	83.22%	97.14%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	83.13%	95.64%
CHEMBL2094127	P06493	Cyclin-dependent kinase 1/cyclin B	83.08%	96.00%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	82.87%	91.71%
CHEMBL4208	P20618	Proteasome component C5	82.77%	90.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.49%	99.17%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	82.13%	85.11%
CHEMBL4940	P07195	L-lactate dehydrogenase B chain	81.23%	95.53%
CHEMBL5311	P37023	Serine/threonine-protein kinase receptor R3	81.21%	82.67%
CHEMBL2535	P11166	Glucose transporter	81.16%	98.75%
CHEMBL5747	Q92793	CREB-binding protein	80.66%	95.12%

Plants that contains it

• Selaginella delicatula

Cross-Links

• PubChem: 162822715
• LOTUS: LTS0241091
• wikiData: Q105385360