5,7-Dihydroxy-6-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-methoxyphenyl)chromen-4-one

Details

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Internal ID c4423b24-4c2e-4457-81ca-ee1180b64592
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids
IUPAC Name 5,7-dihydroxy-6-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-methoxyphenyl)chromen-4-one
SMILES (Canonical) COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC)O)OC)O
SMILES (Isomeric) COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC)O)OC)O
InChI InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)26-14-24(37)32-29(42-26)15-22(35)30(33(32)38)20-10-17(6-9-25(20)41-3)27-13-23(36)31-21(34)11-19(40-2)12-28(31)43-27/h4-15,34-35,38H,1-3H3
InChI Key YWUZLQMOKBNEQW-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C33H24O10
Molecular Weight 580.50 g/mol
Exact Mass 580.13694696 g/mol
Topological Polar Surface Area (TPSA) 141.00 Ų
XlogP 6.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5,7-Dihydroxy-6-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-methoxyphenyl)chromen-4-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 98.78% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 98.51% 85.14%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 98.10% 94.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 97.36% 99.15%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.75% 95.56%
CHEMBL2581 P07339 Cathepsin D 94.42% 98.95%
CHEMBL3194 P02766 Transthyretin 94.26% 90.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.23% 89.00%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 92.02% 96.21%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.85% 86.33%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 89.94% 83.57%
CHEMBL4208 P20618 Proteasome component C5 89.32% 90.00%
CHEMBL1907 P15144 Aminopeptidase N 88.73% 93.31%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 88.14% 95.78%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.78% 99.17%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 84.75% 86.92%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 82.85% 95.50%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.49% 90.71%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.01% 99.23%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.69% 95.89%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 80.72% 91.71%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 80.22% 95.64%
CHEMBL3922 P50579 Methionine aminopeptidase 2 80.13% 97.28%

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.
Selaginella delicatula

Cross-Links

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PubChem 163006641
LOTUS LTS0186286
wikiData Q105367371