flavanone   Click here for help

GtoPdb Ligand ID: 408

Synonyms: 2,3-dihydroflavone | 4-flavanone | flavonoid | NSC-50393
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 26.3
Molecular weight 224.08
XLogP 3.25
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1CC(Oc2c1cccc2)c1ccccc1
Isomeric SMILES O=C1CC(Oc2c1cccc2)c1ccccc1
InChI InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2
InChI Key ZONYXWQDUYMKFB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-Phenylchroman-4-one
Synonyms Click here for help
2,3-dihydroflavone | 4-flavanone | flavonoid | NSC-50393
Database Links Click here for help
BindingDB Ligand 50051358
BitterDB Ligand 893
CAS Registry No. 487-26-3
ChEBI CHEBI:5070
ChEMBL Ligand CHEMBL274318
GtoPdb PubChem SID 135650264
PubChem CID 10251
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