Summary
SMILES: OC(=O)[C@]1(COCC=C2[C@@H]1CCNC2)c1cc2c([nH]1)cccc2InChI: InChI=1S/C18H20N2O3/c21-17(22)18(16-9-12-3-1-2-4-15(12)20-16)11-23-8-6-13-10-19-7-5-14(13)18/h1-4,6,9,14,19-20H,5,7-8,10-11H2,(H,21,22)/t14-,18-/m0/s1InChIKey: NCJBMKOLGAKGTI-KSSFIOAISA-N
DeepSMILES: OC=O)[C@]COCC=C[C@@H]7CCNC6))))))))))cccc[nH]5)cccc6
Scaffold Graph/Node/Bond level: C1=C2CNCCC2C(c2cc3ccccc3[nH]2)COC1
Scaffold Graph/Node level: C1CCC2NC(C3COCCC4CNCCC43)CC2C1
Scaffold Graph level: C1CCC2CC(C3CCCCC4CCCCC43)CC2C1
Functional groups: CC(=O)O; CC=C(C)C; CNC; COC; c[nH]c
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organic acids and derivativesClassyFire Class: Carboxylic acids and derivatives
ClassyFire Subclass: Amino acids, peptides, and analogues
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Carboline alkaloids
Synonymous chemical names:6,7-seco-6-norangustilobine b(losbanine), losbanine
External chemical identifiers:CID:101589339
Chemical structure download