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2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 0d46d36b-4e49-4425-9e2a-8a2d64baeb2a
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids
IUPAC Name 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
SMILES (Canonical) C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC(=C4C5C(C(OC6=C5C(=C(C(=C6)O)C7C(C(OC8=CC(=CC(=C78)O)O)C9=CC(=C(C=C9)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O
SMILES (Isomeric) C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC(=C4C5C(C(OC6=C5C(=C(C(=C6)O)C7C(C(OC8=CC(=CC(=C78)O)O)C9=CC(=C(C=C9)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O
InChI InChI=1S/C60H50O24/c61-23-13-34(71)42-40(14-23)81-56(20-2-6-26(63)31(68)10-20)52(78)48(42)43-38(75)18-41-47(51(43)77)50(54(80)57(82-41)21-3-7-27(64)32(69)11-21)46-37(74)17-36(73)45-49(53(79)58(84-60(45)46)22-4-8-28(65)33(70)12-22)44-35(72)16-29(66)24-15-39(76)55(83-59(24)44)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-50,52-58,61-80H,15H2
InChI Key MEDOUSCMDOWDFB-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C60H50O24
Molecular Weight 1155.00 g/mol
Exact Mass 1154.26920246 g/mol
Topological Polar Surface Area (TPSA) 442.00 Ų
XlogP 4.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-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 99.74% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 97.97% 91.49%
CHEMBL4040 P28482 MAP kinase ERK2 97.22% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.69% 96.09%
CHEMBL1929 P47989 Xanthine dehydrogenase 94.28% 96.12%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.66% 97.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.21% 89.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.80% 99.15%
CHEMBL3401 O75469 Pregnane X receptor 85.89% 94.73%
CHEMBL3194 P02766 Transthyretin 85.55% 90.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.38% 95.56%
CHEMBL2535 P11166 Glucose transporter 83.48% 98.75%
CHEMBL4208 P20618 Proteasome component C5 83.39% 90.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.98% 95.89%
CHEMBL3004 P33527 Multidrug resistance-associated protein 1 81.84% 96.37%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.71% 94.45%
CHEMBL2581 P07339 Cathepsin D 80.01% 98.95%

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.
Dioscorea cirrhosa
Garcinia multiflora
Garcinia paucinervis
Garcinia pyrifera
Garcinia xanthochymus

Cross-Links

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PubChem 73822571
LOTUS LTS0196493
wikiData Q105207288