Summary
IMPPAT Phytochemical identifier: IMPHY012834
Phytochemical name: 16(S)-Hydroxy-16,22-dihydroapparicine
Synonymous chemical names:16(s)-hydroxy-16,22-dihydroapparicine
External chemical identifiers:CID:5374311
Chemical structure information
SMILES:
C/C=C/1CN2CCC1C(C)(O)c1c(C2)c2c([nH]1)cccc2InChI:
InChI=1S/C18H22N2O/c1-3-12-10-20-9-8-15(12)18(2,21)17-14(11-20)13-6-4-5-7-16(13)19-17/h3-7,15,19,21H,8-11H2,1-2H3/b12-3+InChIKey:
PZYMRTAVKVZYMI-KGVSQERTSA-NDeepSMILES:
C/C=CCNCCC6CC)O)ccC8)cc[nH]5)cccc6Functional groups:
C/C=C(/C)C, CN(C)C, CO, c[nH]c
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C=C1CN2CCC1Cc1[nH]c3ccccc3c1C2Scaffold Graph/Node level:
CC1CN2CCC1CC1NC3CCCCC3C1C2Scaffold Graph level:
CC1CC2CCC1CC1CC3CCCCC3C1C2
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Vallesaman alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Corynanthe type
NP-Likeness score: 1.643
Chemical structure download
