Summary

IMPPAT Phytochemical identifier: IMPHY003119

Phytochemical name: Jatropham

Synonymous chemical names:
jatropham

External chemical identifiers:
CID:3080808, ZINC:ZINC000013462053, SureChEMBL:SCHEMBL9930185

---

Chemical structure information

SMILES:
O[C@H]1NC(=O)C(=C1)C

InChI:
InChI=1S/C5H7NO2/c1-3-2-4(7)6-5(3)8/h2,4,7H,1H3,(H,6,8)/t4-/m1/s1

InChIKey:
DORDKUBCRPNETF-SCSAIBSYSA-N

DeepSMILES:
O[C@H]NC=O)C=C5)C

Functional groups:
CC1=C[C@@H](O)NC1=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCN1

Scaffold Graph/Node level:
OC1CCCN1

Scaffold Graph level:
CC1CCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrrolines

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP-Likeness score: 2.397

---

Chemical structure download