Summary
IMPPAT Phytochemical identifier: IMPHY012302
Phytochemical name: trans-Dihydronarciclasine
Synonymous chemical names:trans-dihydronarciclasine
External chemical identifiers:CID:101204, ChEMBL:CHEMBL464432, SureChEMBL:SCHEMBL14732745
Chemical structure information
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-NDeepSMILES:
O[C@H]C[C@H][C@H][C@@H][C@@H]6O))O))NC=O)cc6ccOCOc5c9OFunctional groups:
CO, c1cOCO1, cC(=O)NC, cO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1NC2CCCCC2c2cc3c(cc21)OCO3Scaffold Graph/Node level:
OC1NC2CCCCC2C2CC3OCOC3CC12Scaffold Graph level:
CC1CC2CCCCC2C2CC3CCCC3CC12
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire 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
NP-Likeness score: 2.257
Chemical structure download