Summary
SMILES: CC(=CCc1cc(ccc1O)[C@@H]1CC(=O)c2c(O1)c1C=CC(Oc1cc2)(C)C)CInChI: InChI=1S/C25H26O4/c1-15(2)5-6-16-13-17(7-9-20(16)26)23-14-21(27)18-8-10-22-19(24(18)28-23)11-12-25(3,4)29-22/h5,7-13,23,26H,6,14H2,1-4H3/t23-/m0/s1InChIKey: NEIURIYDQMKXIG-QHCPKHFHSA-N
DeepSMILES: CC=CCcccccc6O))))[C@@H]CC=O)ccO6)cC=CCOc6cc%10))))C)C)))))))))))))))C
Scaffold Graph/Node/Bond level: O=C1CC(c2ccccc2)Oc2c1ccc1c2C=CCO1
Scaffold Graph/Node level: OC1CC(C2CCCCC2)OC2C1CCC1OCCCC12
Scaffold Graph level: CC1CC(C2CCCCC2)CC2C1CCC1CCCCC12
Functional groups: CC=C(C)C; cC(C)=O; cC=CC; cO; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Flavonoids
ClassyFire Subclass: Flavans
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Flavanones
Synonymous chemical names:shinflavanone
External chemical identifiers:CID:197678; ChEMBL:CHEMBL590635; ChEBI:175117; SureChEMBL:SCHEMBL14100974
Chemical structure download