Kenusanone B

Details

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Internal ID 26b26b97-6c9c-49e4-badc-8b0d1c1f9d77
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones
IUPAC Name 5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2-(2,4,6-trihydroxyphenyl)-2,3-dihydrochromen-4-one
SMILES (Canonical) CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=C(C=C(C=C3O)O)O)CC=C(C)C)O)C
SMILES (Isomeric) CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=C(C=C(C=C3O)O)O)CC=C(C)C)O)C
InChI InChI=1S/C25H28O7/c1-12(2)5-7-15-23(30)16(8-6-13(3)4)25-22(24(15)31)19(29)11-20(32-25)21-17(27)9-14(26)10-18(21)28/h5-6,9-10,20,26-28,30-31H,7-8,11H2,1-4H3
InChI Key IHBZIMVYBKLCGV-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C25H28O7
Molecular Weight 440.50 g/mol
Exact Mass 440.18350323 g/mol
Topological Polar Surface Area (TPSA) 127.00 Ų
XlogP 5.50

Synonyms

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LMPK12140475

2D Structure

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2D Structure of Kenusanone B

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 99.40% 91.11%
CHEMBL2581 P07339 Cathepsin D 94.69% 98.95%
CHEMBL1929 P47989 Xanthine dehydrogenase 94.11% 96.12%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.50% 94.45%
CHEMBL3401 O75469 Pregnane X receptor 89.13% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.88% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.71% 95.56%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 86.90% 95.64%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.57% 96.09%
CHEMBL1951 P21397 Monoamine oxidase A 85.90% 91.49%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 84.27% 93.40%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.19% 86.33%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 83.93% 89.34%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.79% 99.17%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.32% 95.89%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.26% 99.23%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.97% 100.00%

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.
Sophora koreensis

Cross-Links

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PubChem 11070235
LOTUS LTS0098474
wikiData Q105112921