2'-Hydroxyfurano[2'',3'':4',3']chalcone

Details

Top
Internal ID 0a52f3fa-8c58-48e6-aa28-b1c57c7e7d98
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > Furanochalcones
IUPAC Name (E)-1-(4-hydroxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one
SMILES (Canonical) C1=CC=C(C=C1)C=CC(=O)C2=C(C3=C(C=C2)OC=C3)O
SMILES (Isomeric) C1=CC=C(C=C1)/C=C/C(=O)C2=C(C3=C(C=C2)OC=C3)O
InChI InChI=1S/C17H12O3/c18-15(8-6-12-4-2-1-3-5-12)13-7-9-16-14(17(13)19)10-11-20-16/h1-11,19H/b8-6+
InChI Key WXWGKIBMPDYPTH-SOFGYWHQSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C17H12O3
Molecular Weight 264.27 g/mol
Exact Mass 264.078644241 g/mol
Topological Polar Surface Area (TPSA) 50.40 Ų
XlogP 4.30

Synonyms

Top
CHEMBL2259856
CHEBI:168932
LMPK12120002
(E)-1-(4-hydroxy-1-benzouran-5-yl)-3-phenylprop-2-en-1-one
(E)-1-(4-hydroxybenzofuran-5-yl)-3-phenyl-prop-2-en-1-one
(e)-1-(4-hydroxybenzofuran-5-yl)-3-phenylprop-2-en-1-one

2D Structure

Top
2D Structure of 2'-Hydroxyfurano[2'',3'':4',3']chalcone

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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 98.63% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.95% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 90.54% 91.49%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.19% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.21% 99.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.12% 89.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.75% 96.00%
CHEMBL2581 P07339 Cathepsin D 84.39% 98.95%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 84.24% 95.50%
CHEMBL3401 O75469 Pregnane X receptor 80.96% 94.73%

Plants that contains it

Top
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.
Derris ovalifolia
Millettia pulchra

Cross-Links

Top
PubChem 13963932
LOTUS LTS0175523
wikiData Q76423476