6-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

Details

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Internal ID 6a59903b-fa71-44d2-aaea-fc37ffe3f68d
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids
IUPAC Name 6-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C30H26O8/c31-17-5-1-15(2-6-17)25-13-21(20-10-9-19(33)11-26(20)37-25)28-23(34)14-27-22(29(28)36)12-24(35)30(38-27)16-3-7-18(32)8-4-16/h1-11,14,21,24-25,30-36H,12-13H2
InChI Key NAEUCFKPKZDATB-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C30H26O8
Molecular Weight 514.50 g/mol
Exact Mass 514.16276778 g/mol
Topological Polar Surface Area (TPSA) 140.00 Ų
XlogP 4.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

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 99.18% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 96.08% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.44% 96.09%
CHEMBL3227 P41594 Metabotropic glutamate receptor 5 91.52% 96.42%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.37% 85.14%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.71% 89.00%
CHEMBL2581 P07339 Cathepsin D 88.24% 98.95%
CHEMBL217 P14416 Dopamine D2 receptor 88.24% 95.62%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.23% 99.15%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.32% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.24% 94.45%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 85.40% 93.40%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 84.70% 85.11%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 84.50% 97.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.01% 86.33%
CHEMBL2535 P11166 Glucose transporter 81.80% 98.75%
CHEMBL4422 O14842 Free fatty acid receptor 1 81.07% 93.33%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.35% 95.89%

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.
Cassia fistula

Cross-Links

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PubChem 14015966
LOTUS LTS0222165
wikiData Q105176206