CID 46840955

Details

• Internal ID: df63283b-3977-4614-964b-5a8ffe3198e2
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids
• IUPAC Name: 5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)chromen-4-one
• SMILES (Canonical): COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O
• SMILES (Isomeric): COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O
• InChI: InChI=1S/C32H24O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-12,14,27,33-36H,13H2,1-2H3
• InChI Key: FADCDEPVRJSRTJ-UHFFFAOYSA-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

• 873999-88-3
• 5,7-Dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)chromen-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
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	96.95%	94.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.92%	91.11%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	96.74%	96.21%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	96.16%	99.15%
CHEMBL242	Q92731	Estrogen receptor beta	96.15%	98.35%
CHEMBL1806	P11388	DNA topoisomerase II alpha	95.80%	89.00%
CHEMBL2581	P07339	Cathepsin D	95.23%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	93.58%	85.14%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	92.93%	95.78%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.89%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.64%	97.09%
CHEMBL3194	P02766	Transthyretin	90.84%	90.71%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	90.35%	99.23%
CHEMBL5608	Q16288	NT-3 growth factor receptor	90.25%	95.89%
CHEMBL3438	Q05513	Protein kinase C zeta	90.22%	88.48%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.94%	96.09%
CHEMBL4630	O14757	Serine/threonine-protein kinase Chk1	88.54%	97.03%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.30%	86.33%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	87.39%	86.92%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.95%	94.45%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.32%	99.17%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	85.95%	97.14%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	85.86%	96.95%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	84.93%	85.11%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	84.92%	96.77%
CHEMBL4208	P20618	Proteasome component C5	83.93%	90.00%
CHEMBL4940	P07195	L-lactate dehydrogenase B chain	83.80%	95.53%
CHEMBL2094127	P06493	Cyclin-dependent kinase 1/cyclin B	83.69%	96.00%
CHEMBL308	P06493	Cyclin-dependent kinase 1	82.83%	91.73%
CHEMBL2535	P11166	Glucose transporter	82.79%	98.75%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	82.77%	91.71%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	82.63%	92.68%
CHEMBL5747	Q92793	CREB-binding protein	81.79%	95.12%
CHEMBL241	Q14432	Phosphodiesterase 3A	80.36%	92.94%
CHEMBL1966	Q02127	Dihydroorotate dehydrogenase	80.25%	96.09%

Plants that contains it

• Selaginella delicatula

Cross-Links

• PubChem: 46840955
• LOTUS: LTS0082198
• wikiData: Q104992180