Summary
SMILES: CN(CCc1cc2OCOc2cc1CC(=O)c1ccc2c(c1C(=O)O)OCO2)CInChI: InChI=1S/C21H21NO7/c1-22(2)6-5-12-8-17-18(28-10-27-17)9-13(12)7-15(23)14-3-4-16-20(29-11-26-16)19(14)21(24)25/h3-4,8-9H,5-7,10-11H2,1-2H3,(H,24,25)InChIKey: ZWRGIDKDYJXLHP-UHFFFAOYSA-N
DeepSMILES: CNCCcccOCOc5cc9CC=O)cccccc6C=O)O)))OCO5)))))))))))))))))))))C
Scaffold Graph/Node/Bond level: O=C(Cc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2
Scaffold Graph/Node level: OC(CC1CCC2OCOC2C1)C1CCC2OCOC2C1
Scaffold Graph level: CC(CC1CCC2CCCC2C1)C1CCC2CCCC2C1
Functional groups: CN(C)C; c1cOCO1; cC(=O)O; cC(C)=O
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Stilbenes
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
Synonymous chemical names:adlumidiceine
External chemical identifiers:CID:12866383; ZINC:ZINC000013308302
Chemical structure download