5',3'''-Dihydroxyamentoflavone

Details

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Internal ID 21680abf-f911-43f1-bdac-2dfdd31e34f5
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids
IUPAC Name 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C30H18O12/c31-13-6-17(34)27-20(37)9-24(41-25(27)7-13)12-3-14(29(40)22(39)5-12)26-18(35)8-19(36)28-21(38)10-23(42-30(26)28)11-1-2-15(32)16(33)4-11/h1-10,31-36,39-40H
InChI Key BRFJUPCQCZSTEU-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C30H18O12
Molecular Weight 570.50 g/mol
Exact Mass 570.07982601 g/mol
Topological Polar Surface Area (TPSA) 214.00 Ų
XlogP 4.30

Synonyms

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CHEMBL4203222
5',3'''-Dihydroxyamentoflavone
NSC-683135
NCI60_029789

2D Structure

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2D Structure of 5',3'''-Dihydroxyamentoflavone

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 99.60% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 99.21% 91.49%
CHEMBL3194 P02766 Transthyretin 97.83% 90.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 96.82% 89.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 96.65% 99.15%
CHEMBL242 Q92731 Estrogen receptor beta 95.28% 98.35%
CHEMBL2581 P07339 Cathepsin D 94.63% 98.95%
CHEMBL3038469 P24941 CDK2/Cyclin A 92.55% 91.38%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.34% 94.00%
CHEMBL308 P06493 Cyclin-dependent kinase 1 91.03% 91.73%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 89.26% 95.64%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.97% 95.56%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 87.08% 90.71%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 87.02% 85.11%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 86.80% 98.11%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.81% 99.23%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 85.17% 96.21%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.95% 86.33%
CHEMBL1929 P47989 Xanthine dehydrogenase 84.91% 96.12%
CHEMBL3401 O75469 Pregnane X receptor 83.69% 94.73%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 83.26% 95.78%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 82.52% 91.71%
CHEMBL3922 P50579 Methionine aminopeptidase 2 81.94% 97.28%
CHEMBL2717 Q9HCR9 Phosphodiesterase 11A 81.61% 85.00%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 81.51% 93.40%
CHEMBL1978 P11511 Cytochrome P450 19A1 80.88% 91.76%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.62% 94.45%
CHEMBL5284 Q96RR4 CaM-kinase kinase beta 80.46% 89.23%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 80.08% 81.11%

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.
Aulacomnium palustre
Dicranoloma robustum

Cross-Links

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PubChem 5469099
LOTUS LTS0205804
wikiData Q104944759