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

Details

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Internal ID 06d02b59-770a-4d7c-a201-cc2db5ea865e
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids
IUPAC Name 5-hydroxy-10-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C38H30O10/c1-38(2)13-12-23-35(42)34-27(41)18-29(19-6-9-21(43-3)10-7-19)47-37(34)32(36(23)48-38)24-14-20(8-11-28(24)45-5)30-17-26(40)33-25(39)15-22(44-4)16-31(33)46-30/h6-18,39,42H,1-5H3
InChI Key DOQFFKSBGWRBKR-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C38H30O10
Molecular Weight 646.60 g/mol
Exact Mass 646.18389715 g/mol
Topological Polar Surface Area (TPSA) 130.00 Ų
XlogP 7.30

Synonyms

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There are no found synonyms.

2D Structure

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

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
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 99.54% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 98.86% 85.14%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 98.29% 99.15%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 98.12% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 96.06% 89.00%
CHEMBL2581 P07339 Cathepsin D 96.04% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.44% 94.45%
CHEMBL4208 P20618 Proteasome component C5 93.07% 90.00%
CHEMBL1951 P21397 Monoamine oxidase A 92.93% 91.49%
CHEMBL3194 P02766 Transthyretin 92.67% 90.71%
CHEMBL1907 P15144 Aminopeptidase N 92.14% 93.31%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.85% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.65% 86.33%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 89.46% 95.78%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 88.91% 96.21%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.52% 99.17%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 86.23% 95.53%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.47% 95.89%
CHEMBL5284 Q96RR4 CaM-kinase kinase beta 85.38% 89.23%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 84.86% 86.92%
CHEMBL4051 P13569 Cystic fibrosis transmembrane conductance regulator 84.80% 95.71%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 84.64% 97.14%
CHEMBL242 Q92731 Estrogen receptor beta 84.62% 98.35%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 84.46% 95.50%
CHEMBL5747 Q92793 CREB-binding protein 83.96% 95.12%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.93% 99.23%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.28% 90.71%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 82.59% 96.67%
CHEMBL2535 P11166 Glucose transporter 81.83% 98.75%
CHEMBL3922 P50579 Methionine aminopeptidase 2 81.57% 97.28%
CHEMBL340 P08684 Cytochrome P450 3A4 80.27% 91.19%
CHEMBL3085 P43003 Excitatory amino acid transporter 1 80.23% 94.67%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 80.20% 94.42%
CHEMBL1255126 O15151 Protein Mdm4 80.18% 90.20%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Calophyllum venulosum

Cross-Links

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PubChem 10580051
LOTUS LTS0107232
wikiData Q104986131