Summary

IMPPAT Phytochemical identifier: IMPHY002459

Phytochemical name: N-Acetylnornuciferine

Synonymous chemical names:
n-acetylnornuciferine

External chemical identifiers:
CID:101630664, ZINC:ZINC000013481264

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Chemical structure information

SMILES:
COc1c(OC)cc2c3c1-c1ccccc1C[C@H]3N(CC2)C(=O)C

InChI:
InChI=1S/C20H21NO3/c1-12(22)21-9-8-14-11-17(23-2)20(24-3)19-15-7-5-4-6-13(15)10-16(21)18(14)19/h4-7,11,16H,8-10H2,1-3H3/t16-/m1/s1

InChIKey:
DSYUERSKJXONOW-MRXNPFEDSA-N

DeepSMILES:
COccOC))cccc6-cccccc6C[C@H]%10NCC%14))C=O)C

Functional groups:
CC(=O)N(C)C, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NCCc3cccc-2c31

Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CCCC2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CCCC2C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aporphines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids, Isoquinoline alkaloids

NP-Likeness score: 0.92

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Chemical structure download