2beta-5,7-Trihydroxyflavanone

Details

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Internal ID 3caff76b-86a6-4038-b834-3966c59e21b1
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Hydroxyflavonoids > 7-hydroxyflavonoids
IUPAC Name (2S)-2,5,7-trihydroxy-2-phenyl-3H-chromen-4-one
SMILES (Canonical) C1C(=O)C2=C(C=C(C=C2OC1(C3=CC=CC=C3)O)O)O
SMILES (Isomeric) C1C(=O)C2=C(C=C(C=C2O[C@@]1(C3=CC=CC=C3)O)O)O
InChI InChI=1S/C15H12O5/c16-10-6-11(17)14-12(18)8-15(19,20-13(14)7-10)9-4-2-1-3-5-9/h1-7,16-17,19H,8H2/t15-/m0/s1
InChI Key KRSTWHCNVMDXQW-HNNXBMFYSA-N
Popularity 3 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 2.00

Synonyms

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106009-52-3
(S)-2-hydroxypinocembrin
(2S)-2-hydroxypinocembrin
CHEBI:141996
DTXSID601163047
LMPK12140219
4H-1-Benzopyran-4-one, 2,3-dihydro-2,5,7-trihydroxy-2-phenyl-, (S)-
(2S)-2,5,7-trihydroxy-2-phenyl-3H-chromen-4-one
(2S)-2,5,7-trihydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one

2D Structure

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2D Structure of 2beta-5,7-Trihydroxyflavanone

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%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.41% 95.56%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 93.59% 94.62%
CHEMBL2581 P07339 Cathepsin D 93.12% 98.95%
CHEMBL4208 P20618 Proteasome component C5 91.88% 90.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 90.78% 93.99%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.69% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.48% 86.33%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 85.31% 99.15%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.20% 99.23%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.04% 94.45%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 80.60% 93.40%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.47% 96.09%

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.
Baccharis bigelovii

Cross-Links

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PubChem 42607887
LOTUS LTS0223968
wikiData Q74412058