Summary

IMPPAT Phytochemical identifier: IMPHY002815

Phytochemical name: Oxypinnatanine

Synonymous chemical names:
oxypinnatanine

External chemical identifiers:
CID:14779021, ChEBI:174406, SureChEMBL:SCHEMBL15494345

---

Chemical structure information

SMILES:
OCC1=CCOC1NC(=O)C(CC(C(=O)O)N)O

InChI:
InChI=1S/C10H16N2O6/c11-6(10(16)17)3-7(14)8(15)12-9-5(4-13)1-2-18-9/h1,6-7,9,13-14H,2-4,11H2,(H,12,15)(H,16,17)

InChIKey:
FKPGGSOHTXQOGP-UHFFFAOYSA-N

DeepSMILES:
OCC=CCOC5NC=O)CCCC=O)O))N)))O

Functional groups:
CC(=O)NC1OCC=C1C, CC(=O)O, CN, CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCOC1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

---

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: 1.779

---

Chemical structure download