Summary

IMPPAT Phytochemical identifier: IMPHY000994

Phytochemical name: Hypaphorine

Synonymous chemical names:
hypaphorine, lenticin

External chemical identifiers:
CID:442106, ChEMBL:CHEMBL2235164, ChEBI:5832, FDASRS:GJ3358U63L, SureChEMBL:SCHEMBL1460893

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Chemical structure information

SMILES:
[O-]C(=O)[C@@H]([N+](C)(C)C)Cc1c[nH]c2c1cccc2

InChI:
InChI=1S/C14H18N2O2/c1-16(2,3)13(14(17)18)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,8H2,1-3H3/t13-/m0/s1

InChIKey:
AOHCBEAZXHZMOR-ZDUSSCGKSA-N

DeepSMILES:
[O-]C=O)[C@@H][N+]C)C)C))Ccc[nH]cc5cccc6

Functional groups:
CC(=O)[O-], C[N+](C)(C)C, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2[nH]ccc2c1

Scaffold Graph/Node level:
C1CCC2NCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Simple indole alkaloids

NP-Likeness score: 0.31

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Chemical structure download