2-[3,4-Dihydroxy-6-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)chromen-4-one

Details

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Internal ID 2551dce6-d966-41d5-99a6-f9540506acb7
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavones > 2-prenylated flavones
IUPAC Name 2-[3,4-dihydroxy-6-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C30H34O7/c1-8-30(6,7)19-13-22(33)25(34)18(12-10-16(4)5)23(19)29-27(36)26(35)24-21(32)14-20(31)17(28(24)37-29)11-9-15(2)3/h8-10,13-14,31-34,36H,1,11-12H2,2-7H3
InChI Key LNOPNKDCFQVJGR-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C30H34O7
Molecular Weight 506.60 g/mol
Exact Mass 506.23045342 g/mol
Topological Polar Surface Area (TPSA) 127.00 Ų
XlogP 8.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-[3,4-Dihydroxy-6-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)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 99.67% 91.11%
CHEMBL3401 O75469 Pregnane X receptor 98.12% 94.73%
CHEMBL1951 P21397 Monoamine oxidase A 96.23% 91.49%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 95.84% 89.34%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.24% 94.45%
CHEMBL2581 P07339 Cathepsin D 93.37% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.88% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.82% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.58% 94.00%
CHEMBL2964 P36507 Dual specificity mitogen-activated protein kinase kinase 2 85.58% 80.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.42% 95.56%
CHEMBL4530 P00488 Coagulation factor XIII 82.89% 96.00%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 81.39% 96.90%
CHEMBL3922 P50579 Methionine aminopeptidase 2 81.27% 97.28%
CHEMBL3038469 P24941 CDK2/Cyclin A 80.86% 91.38%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.31% 96.95%

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.
Broussonetia papyrifera

Cross-Links

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PubChem 21637688
LOTUS LTS0102371
wikiData Q105154419