Summary
SMILES: COc1cc(O)c(c(c1C(=O)/C=C/c1ccccc1)O)CInChI: InChI=1S/C17H16O4/c1-11-14(19)10-15(21-2)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-10,19-20H,1-2H3/b9-8+InChIKey: JUZVHLGKYJTCKP-CMDGGOBGSA-N
DeepSMILES: COcccO)ccc6C=O)/C=C/cccccc6))))))))))O))C
Scaffold Graph/Node/Bond level: O=C(C=Cc1ccccc1)c1ccccc1
Scaffold Graph/Node level: OC(CCC1CCCCC1)C1CCCCC1
Scaffold Graph level: CC(CCC1CCCCC1)C1CCCCC1
Functional groups: c/C=C/C(c)=O; cO; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Linear 1,3-diarylpropanoids
ClassyFire Subclass: Chalcones and dihydrochalcones
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Chalcones
Synonymous chemical names:2',4'-dihydroxy-6'-methoxy-3'-methylchalcone, stercurensin
External chemical identifiers:CID:11778601; ChEMBL:CHEMBL1271362; ChEBI:70659; ZINC:ZINC000014814702; SureChEMBL:SCHEMBL662966
Chemical structure download