Summary
SMILES: COc1cc2OC(C)(CCC=C(C)C)C=Cc2c(c1C(=O)/C=C/c1ccccc1)OInChI: InChI=1S/C26H28O4/c1-18(2)9-8-15-26(3)16-14-20-22(30-26)17-23(29-4)24(25(20)28)21(27)13-12-19-10-6-5-7-11-19/h5-7,9-14,16-17,28H,8,15H2,1-4H3/b13-12+InChIKey: HIFBEHOCUHYLOD-OUKQBFOZSA-N
DeepSMILES: COcccOCC)CCC=CC)C)))))C=Cc6cc%10C=O)/C=C/cccccc6))))))))))O
Scaffold Graph/Node/Bond level: O=C(C=Cc1ccccc1)c1ccc2c(c1)C=CCO2
Scaffold Graph/Node level: OC(CCC1CCCCC1)C1CCC2OCCCC2C1
Scaffold Graph level: CC(CCC1CCCCC1)C1CCC2CCCCC2C1
Functional groups: CC=C(C)C; c/C=C/C(c)=O; cC=CC; 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:boesenbergin b
External chemical identifiers:CID:23643133; ChEMBL:CHEMBL404850
Chemical structure download