Summary

IMPPAT Phytochemical identifier: IMPHY013742

Phytochemical name: Levodopa

Synonymous chemical names:
l-dopa

External chemical identifiers:
CID:6047, ChEMBL:CHEMBL1009, ChEBI:57504, ZINC:ZINC000000895199, FDASRS:46627O600J, SureChEMBL:SCHEMBL22655, MolPort-000-856-937

---

Chemical structure information

SMILES:
OC(=O)[C@H](Cc1ccc(c(c1)O)O)N

InChI:
InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1

InChIKey:
WTDRDQBEARUVNC-LURJTMIESA-N

DeepSMILES:
OC=O)[C@H]Ccccccc6)O))O))))))N

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

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, Amino acids and Peptides

NP Classifier Superclass: Tyrosine alkaloids, Small peptides

NP Classifier Class: Aminoacids, Phenylethylamines

NP-Likeness score: 1.186

---

Chemical structure download