2,3,2'',3''-Tetrahydroochnaflavone

Details

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Internal ID ab8990fe-c3ba-4fe4-b81b-c0489ff1e164
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids
IUPAC Name 2-[4-[5-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C30H22O10/c31-16-8-20(34)29-22(36)12-24(39-27(29)10-16)14-1-4-18(5-2-14)38-26-7-15(3-6-19(26)33)25-13-23(37)30-21(35)9-17(32)11-28(30)40-25/h1-11,24-25,31-35H,12-13H2
InChI Key XEODGBSMXJKQNI-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C30H22O10
Molecular Weight 542.50 g/mol
Exact Mass 542.12129689 g/mol
Topological Polar Surface Area (TPSA) 163.00 Ų
XlogP 4.70

Synonyms

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2,3,2'',3''-tetrahydroochnaflavone
2,3,2",3"-Tetrahydroochnaflavone
CHEMBL465971
orb1689908
2,3,2 ,3 -Tetrahydroochnaflavone
2,3,2',3'-Tetrahydroochnaflavone
AKOS040758717
DA-49245
PD215179
2-[4-[5-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one

2D Structure

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2D Structure of 2,3,2'',3''-Tetrahydroochnaflavone

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 99.26% 91.11%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 97.00% 99.15%
CHEMBL1929 P47989 Xanthine dehydrogenase 96.17% 96.12%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.97% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 94.87% 97.09%
CHEMBL4208 P20618 Proteasome component C5 93.86% 90.00%
CHEMBL3194 P02766 Transthyretin 93.62% 90.71%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.51% 96.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.54% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.27% 94.00%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 87.47% 95.78%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.10% 89.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.63% 99.17%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.91% 95.89%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.79% 94.45%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 84.83% 96.21%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 84.42% 86.92%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.22% 86.33%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.22% 90.71%
CHEMBL4051 P13569 Cystic fibrosis transmembrane conductance regulator 81.52% 95.71%
CHEMBL2581 P07339 Cathepsin D 80.87% 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.
Quintinia serrata

Cross-Links

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PubChem 11478288
LOTUS LTS0123721
wikiData Q105326496