7-O-Demethyl-3,8'-bisiderin

Details

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Internal ID 6e677def-d939-4b52-a13f-4bcaff8af163
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > Pyranoisoflavonoids
IUPAC Name 3-(4,7-dimethoxy-5-methyl-2-oxochromen-8-yl)-7-hydroxy-4-methoxy-5-methylchromen-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H20O8/c1-10-6-12(24)8-15-18(10)21(29-5)20(23(26)30-15)19-13(27-3)7-11(2)17-14(28-4)9-16(25)31-22(17)19/h6-9,24H,1-5H3
InChI Key BMCAPTVHSYKENS-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C23H20O8
Molecular Weight 424.40 g/mol
Exact Mass 424.11581759 g/mol
Topological Polar Surface Area (TPSA) 101.00 Ų
XlogP 3.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 7-O-Demethyl-3,8'-bisiderin

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 97.66% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 95.74% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.57% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 90.20% 99.23%
CHEMBL1913 P09619 Platelet-derived growth factor receptor beta 89.79% 95.70%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.71% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 89.48% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.98% 89.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.93% 94.45%
CHEMBL2581 P07339 Cathepsin D 87.04% 98.95%
CHEMBL4208 P20618 Proteasome component C5 86.08% 90.00%
CHEMBL2535 P11166 Glucose transporter 85.58% 98.75%
CHEMBL3194 P02766 Transthyretin 85.36% 90.71%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 84.92% 96.21%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.59% 99.17%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 83.45% 95.64%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 82.92% 93.65%
CHEMBL3922 P50579 Methionine aminopeptidase 2 81.56% 97.28%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 139587957
LOTUS LTS0081975
wikiData Q104086267