Summary
SMILES: CN1Cc2c3OCOc3ccc2-c2c1c1cc3OCOc3cc1cc2InChI: InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3InChIKey: CIUHLXZTZWTVFL-UHFFFAOYSA-N
DeepSMILES: CNCccOCOc5ccc9-cc%13cccOCOc5cc9cc%13
Scaffold Graph/Node/Bond level: c1cc2c(c3c1OCO3)CNc1c-2ccc2cc3c(cc12)OCO3
Scaffold Graph/Node level: C1OC2CC3CCC4C5CCC6OCOC6C5CNC4C3CC2O1
Scaffold Graph level: C1CC2CC3CCC4C(CCC5C6CCCC6CCC54)C3CC2C1
Functional groups: c1cOCO1; cN(C)C
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:dihydroavicine, dihydrosanguinarine, dihydrosanguinarine/10-hydroxydihydrosanguinarine
External chemical identifiers:CID:124069; ChEMBL:CHEMBL465678; ChEBI:17209; ZINC:ZINC000000895645; FDASRS:3H1ZKG80F7; SureChEMBL:SCHEMBL420383; MolPort-039-139-629
Chemical structure download