Summary
SMILES: CO[C@@H]1C[C@H]2N3CC[C@]2([C@@H]2[C@H]1O2)c1c(C3)c(OC)c2c(c1)OCO2InChI: InChI=1S/C18H21NO5/c1-20-11-6-13-18(17-16(11)24-17)3-4-19(13)7-9-10(18)5-12-15(14(9)21-2)23-8-22-12/h5,11,13,16-17H,3-4,6-8H2,1-2H3/t11-,13-,16+,17+,18+/m1/s1InChIKey: XHXKHSUJQVCHTA-NWVCDLTISA-N
DeepSMILES: CO[C@@H]C[C@H]NCC[C@]5[C@@H][C@H]9O3)))ccC7)cOC))ccc6)OCO5
Scaffold Graph/Node/Bond level: c1c2c(cc3c1OCO3)C13CCN(C2)C1CCC1OC13
Scaffold Graph/Node level: C1OC2CC3CN4CCC5(C3CC2O1)C1OC1CCC45
Scaffold Graph level: C1CC2CC3CC4CCC5(C4CCC4CC45)C3CC2C1
Functional groups: CN(C)C; COC; C[C@H]1O[C@H]1C; c1cOCO1; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Amaryllidaceae alkaloids
ClassyFire Subclass: Crinine- and Haemanthamine-type amaryllidaceae alkaloids
NP Classifier Biosynthetic pathway: Alkaloids|Terpenoids
NP Classifier Superclass: Tyrosine alkaloids|Monoterpenoids
NP Classifier Class: Amarylidaceae alkaloids|Iridoids monoterpenoids|Isoquinoline alkaloids
Synonymous chemical names:undulatine
External chemical identifiers:CID:3083985; ChEMBL:CHEMBL4589413; ZINC:ZINC000033903740; FDASRS:3FMI5M8S6J
Chemical structure download