Summary
SMILES: O[C@H]1C[C@H]2[C@H]([C@@H]([C@@H]1O)O)NC(=O)c1c2cc2OCOc2c1OInChI: InChI=1S/C14H15NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h2,5-6,9-10,12,16-19H,1,3H2,(H,15,20)/t5-,6+,9-,10-,12+/m1/s1InChIKey: SBTGHBALOCEVOR-PUZXQUAOSA-N
DeepSMILES: O[C@H]C[C@H][C@H][C@@H][C@@H]6O))O))NC=O)cc6ccOCOc5c9O
Scaffold Graph/Node/Bond level: O=C1NC2CCCCC2c2cc3c(cc21)OCO3
Scaffold Graph/Node level: OC1NC2CCCCC2C2CC3OCOC3CC12
Scaffold Graph level: CC1CC2CCCCC2C2CC3CCCC3CC12
Functional groups: CO; c1cOCO1; cC(=O)NC; cO
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Amaryllidaceae alkaloids
ClassyFire Subclass: Phenanthridine- and phenanthridone-type amaryllidaceae alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Amarylidaceae alkaloids
Synonymous chemical names:trans-dihydronarciclasine
External chemical identifiers:CID:101204; ChEMBL:CHEMBL464432; SureChEMBL:SCHEMBL14732745
Chemical structure download