Summary
SMILES: COc1c(OC)ccc2-c3c(N(C(c12)CC(=O)C)C)c1cc2OCOc2cc1cc3InChI: InChI=1S/C24H23NO5/c1-13(26)9-18-22-15(7-8-19(27-3)24(22)28-4)16-6-5-14-10-20-21(30-12-29-20)11-17(14)23(16)25(18)2/h5-8,10-11,18H,9,12H2,1-4H3InChIKey: VGTQLFWIJIABSU-UHFFFAOYSA-N
DeepSMILES: COccOC))ccc-ccNCc%106)CC=O)C))))C))cccOCOc5cc9cc%13
Scaffold Graph/Node/Bond level: c1ccc2c(c1)CNc1c-2ccc2cc3c(cc12)OCO3
Scaffold Graph/Node level: C1CCC2C(C1)CNC1C3CC4OCOC4CC3CCC21
Scaffold Graph level: C1CC2CC3CCC4C5CCCCC5CCC4C3CC2C1
Functional groups: CC(C)=O; c1cOCO1; cN(C)C; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Benzophenanthridine alkaloids
ClassyFire Subclass: Dihydrobenzophenanthridine alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Isoquinoline alkaloids
Synonymous chemical names:8-acetonyldihydrochelerythrine
External chemical identifiers:CID:443700; ChEMBL:CHEMBL3810342; ChEBI:31021; MolPort-039-052-581
Chemical structure download