(2R)-6-[(2R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

Details

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Internal ID 6126ce1f-6c18-445e-a9b6-32a3a9f7083d
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids
IUPAC Name (2R)-6-[(2R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILES (Canonical) C1C(OC2=C(C1=O)C(=C(C(=C2)O)C3=C4C(=C(C=C3O)O)C(=O)CC(O4)C5=CC(=C(C=C5)O)O)O)C6=CC=C(C=C6)O
SMILES (Isomeric) C1[C@@H](OC2=C(C1=O)C(=C(C(=C2)O)C3=C4C(=C(C=C3O)O)C(=O)C[C@@H](O4)C5=CC(=C(C=C5)O)O)O)C6=CC=C(C=C6)O
InChI InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)22-10-20(37)26-24(40-22)11-21(38)27(29(26)39)28-18(35)8-17(34)25-19(36)9-23(41-30(25)28)13-3-6-15(32)16(33)7-13/h1-8,11,22-23,31-35,38-39H,9-10H2/t22-,23-/m1/s1
InChI Key KAGPLRITTDBAFN-DHIUTWEWSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C30H22O11
Molecular Weight 558.50 g/mol
Exact Mass 558.11621151 g/mol
Topological Polar Surface Area (TPSA) 194.00 Ų
XlogP 4.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2R)-6-[(2R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-8-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 99.48% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.12% 94.45%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 92.53% 85.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.78% 97.09%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 91.58% 99.15%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.14% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.70% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 89.96% 85.14%
CHEMBL2581 P07339 Cathepsin D 87.13% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.75% 96.09%
CHEMBL3194 P02766 Transthyretin 83.96% 90.71%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.61% 99.23%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.07% 90.71%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 82.39% 94.80%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 82.20% 93.40%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 82.02% 83.10%
CHEMBL4208 P20618 Proteasome component C5 81.85% 90.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.77% 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.
Garcinia lateriflora

Cross-Links

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PubChem 101514983
LOTUS LTS0074642
wikiData Q105137827