2',4',7-Trihydroxy-flavanone

Details

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Internal ID bc9187f2-b6a9-4b28-b242-1e651fd71a4c
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones
IUPAC Name 2-(2,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one
SMILES (Canonical) C1C(OC2=C(C1=O)C=CC(=C2)O)C3=C(C=C(C=C3)O)O
SMILES (Isomeric) C1C(OC2=C(C1=O)C=CC(=C2)O)C3=C(C=C(C=C3)O)O
InChI InChI=1S/C15H12O5/c16-8-1-3-10(12(18)5-8)15-7-13(19)11-4-2-9(17)6-14(11)20-15/h1-6,15-18H,7H2
InChI Key JBQATDIMBVLPRB-UHFFFAOYSA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C15H12O5
Molecular Weight 272.25 g/mol
Exact Mass 272.06847348 g/mol
Topological Polar Surface Area (TPSA) 87.00 Ų
XlogP 1.80

Synonyms

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2',4',7-trihydroxy-flavanone
BDBM50083070

2D Structure

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2D Structure of 2',4',7-Trihydroxy-flavanone

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 96.36% 91.11%
CHEMBL2581 P07339 Cathepsin D 95.74% 98.95%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 91.89% 93.40%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.89% 95.56%
CHEMBL217 P14416 Dopamine D2 receptor 90.41% 95.62%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.57% 89.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 89.21% 90.71%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.65% 96.09%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.92% 99.15%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.29% 99.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.66% 86.33%
CHEMBL1929 P47989 Xanthine dehydrogenase 83.52% 96.12%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.28% 95.89%
CHEMBL236 P41143 Delta opioid receptor 82.49% 99.35%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.69% 97.09%
CHEMBL2535 P11166 Glucose transporter 81.56% 98.75%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 81.23% 85.00%
CHEMBL3194 P02766 Transthyretin 81.03% 90.71%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.52% 100.00%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 80.28% 90.93%

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.
Morus alba
Morus cathayana
Vachellia vernicosa

Cross-Links

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PubChem 91557562
LOTUS LTS0211311
wikiData Q105124493