8-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

Details

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Internal ID 66d6c10d-6cfe-4044-a38b-dbb9a7be875b
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids
IUPAC Name 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILES (Canonical) C1C(OC2=C(C(=CC(=C2C1=O)O)O)C3C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)C6=CC=C(C=C6)O
SMILES (Isomeric) C1C(OC2=C(C(=CC(=C2C1=O)O)O)C3C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)C6=CC=C(C=C6)O
InChI InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-11,22,27,29,31-36H,12H2
InChI Key MXEIKUWMKSYEII-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C30H22O10
Molecular Weight 542.50 g/mol
Exact Mass 542.12129689 g/mol
Topological Polar Surface Area (TPSA) 174.00 Ų
XlogP 4.60

Synonyms

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CHEMBL63292
CID 124385005

2D Structure

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2D Structure of 8-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-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%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.98% 97.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.67% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.12% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 90.60% 99.23%
CHEMBL2581 P07339 Cathepsin D 89.42% 98.95%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.56% 99.15%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.23% 94.45%
CHEMBL1929 P47989 Xanthine dehydrogenase 86.05% 96.12%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.68% 96.09%
CHEMBL4208 P20618 Proteasome component C5 85.15% 90.00%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 84.32% 85.11%
CHEMBL2535 P11166 Glucose transporter 83.99% 98.75%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.83% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 80.78% 94.73%

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.
Garcinia dulcis
Garcinia kola
Garcinia mannii
Garcinia multiflora
Garcinia prainiana
Garcinia spicata
Garcinia thwaitesii

Cross-Links

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PubChem 15307520
LOTUS LTS0190309
wikiData Q105174012