Summary

IMPPAT Phytochemical identifier: IMPHY014987

Phytochemical name: L-mimosine

Synonymous chemical names:
leucenine, leucenol

External chemical identifiers:
CID:440473, ChEMBL:CHEMBL245416, ChEBI:77689, ZINC:ZINC000000902159, FDASRS:Z46B1LUI5N, SureChEMBL:SCHEMBL41925, MolPort-003-958-613

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Chemical structure information

SMILES:
OC(=O)[C@H](Cn1ccc(=O)c(c1)O)N

InChI:
InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1

InChIKey:
WZNJWVWKTVETCG-YFKPBYRVSA-N

DeepSMILES:
OC=O)[C@H]Cnccc=O)cc6)O)))))))N

Functional groups:
CC(=O)O, CN, c=O, cO, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc[nH]cc1

Scaffold Graph/Node level:
OC1CCNCC1

Scaffold Graph level:
CC1CCCCC1

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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: 0.732

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Chemical structure download