CID 14542254

Details

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Internal ID 8a5a5c53-7a00-4496-b23f-36c68ee1c128
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones
IUPAC Name (2S)-2-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
SMILES (Canonical) CC(=CCC1=CC(=C(C=C1O)O)C2CC(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)C
SMILES (Isomeric) CC(=CCC1=CC(=C(C=C1O)O)[C@@H]2CC(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)C
InChI InChI=1S/C25H28O6/c1-13(2)5-7-15-9-17(20(28)10-18(15)26)23-12-22(30)24-21(29)11-19(27)16(25(24)31-23)8-6-14(3)4/h5-6,9-11,23,26-29H,7-8,12H2,1-4H3/t23-/m0/s1
InChI Key IPNPAENNCXAVSJ-QHCPKHFHSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C25H28O6
Molecular Weight 424.50 g/mol
Exact Mass 424.18858861 g/mol
Topological Polar Surface Area (TPSA) 107.00 Ų
XlogP 5.90

Synonyms

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Euchrestaflavanone B
(2S)-2-[2,4-Dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
AKOS040761713

2D Structure

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2D Structure of CID 14542254

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 99.08% 91.11%
CHEMBL2581 P07339 Cathepsin D 95.25% 98.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 93.26% 85.14%
CHEMBL3401 O75469 Pregnane X receptor 90.69% 94.73%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.69% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.03% 94.45%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.00% 89.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.75% 96.09%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 87.62% 93.40%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.45% 86.33%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 87.43% 89.34%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 85.69% 94.80%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.58% 100.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.35% 99.23%
CHEMBL226 P30542 Adenosine A1 receptor 83.51% 95.93%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 82.53% 92.62%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.24% 95.89%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.20% 99.17%
CHEMBL1929 P47989 Xanthine dehydrogenase 80.65% 96.12%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.51% 97.09%
CHEMBL2964 P36507 Dual specificity mitogen-activated protein kinase kinase 2 80.33% 80.00%

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.
Euchresta formosana
Maclura pomifera

Cross-Links

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PubChem 14542254
LOTUS LTS0204315
wikiData Q104391217