Summary

IMPPAT Phytochemical identifier: IMPHY002999

Phytochemical name: Mimosine

Synonymous chemical names:
mimosine

External chemical identifiers:
CID:3862, ChEMBL:CHEMBL251433, ChEBI:95190, FDASRS:X9W047UL80, SureChEMBL:SCHEMBL41924, MolPort-003-665-665

---

Chemical structure information

SMILES:
OC(=O)C(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)

InChIKey:
WZNJWVWKTVETCG-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCnccc=O)cc6)O)))))))N

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

---

Molecular scaffolds

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

Scaffold Graph/Node level:
OC1CCNCC1

Scaffold Graph level:
CC1CCCCC1

---

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

---

Chemical structure download