Summary
SMILES: CCOC(=O)C1C(C)C(=O)c2c(C1c1cc(OC)c(c(c1)OC)OC)cc(c(c2)OC)OCInChI: InChI=1S/C25H30O8/c1-8-33-25(27)21-13(2)23(26)16-12-18(29-4)17(28-3)11-15(16)22(21)14-9-19(30-5)24(32-7)20(10-14)31-6/h9-13,21-22H,8H2,1-7H3InChIKey: PEIBIXYUYBVLDS-UHFFFAOYSA-N
DeepSMILES: CCOC=O)CCC)C=O)ccC6cccOC))ccc6)OC)))OC)))))))cccc6)OC)))OC
Scaffold Graph/Node/Bond level: O=C1CCC(c2ccccc2)c2ccccc21
Scaffold Graph/Node level: OC1CCC(C2CCCCC2)C2CCCCC12
Scaffold Graph level: CC1CCC(C2CCCCC2)C2CCCCC12
Functional groups: COC(C)=O; cC(C)=O; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lignans, neolignans and related compoundsClassyFire Class: Aryltetralin lignans
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Lignans
NP Classifier Class: Arylnaphthalene and aryltetralin lignans
Synonymous chemical names:lignan
External chemical identifiers:CID:261166; SureChEMBL:SCHEMBL30935
Chemical structure download