Summary

IMPPAT Phytochemical identifier: IMPHY000616

Phytochemical name: Indospicine

Synonymous chemical names:
indospicine

External chemical identifiers:
CID:108010, ChEBI:6253, FDASRS:X29Q4D9671, SureChEMBL:SCHEMBL1512880

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Chemical structure information

SMILES:
NC(=N)CCCC[C@@H](C(=O)O)N

InChI:
InChI=1S/C7H15N3O2/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H3,9,10)(H,11,12)/t5-/m0/s1

InChIKey:
SILQDLDAWPQMEL-YFKPBYRVSA-N

DeepSMILES:
NC=N)CCCC[C@@H]C=O)O))N

Functional groups:
CC(=N)N, CC(=O)O, CN

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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: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 1.273

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Chemical structure download