Summary

IMPPAT Phytochemical identifier: IMPHY000681

Phytochemical name: Azimine

Synonymous chemical names:
azimine

External chemical identifiers:
CID:11373576, ZINC:ZINC000135702171

---

Chemical structure information

SMILES:
O=C1CCCCC[C@@H]2CC[C@@H]([C@@H](N2)C)OC(=O)CCCCC[C@@H]2CC[C@H](O1)[C@H](C)N2

InChI:
InChI=1S/C24H42N2O4/c1-17-21-15-13-19(25-17)9-5-3-8-12-24(28)30-22-16-14-20(26-18(22)2)10-6-4-7-11-23(27)29-21/h17-22,25-26H,3-16H2,1-2H3/t17-,18-,19+,20+,21-,22-/m0/s1

InChIKey:
XOGWGGHUKKQJPR-RBFKZVKLSA-N

DeepSMILES:
O=CCCCCC[C@@H]CC[C@@H][C@@H]N6)C))OC=O)CCCCC[C@@H]CC[C@H]O%22)[C@H]C)N6

Functional groups:
CC(=O)OC, CNC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCCCC2CCC(CN2)OC(=O)CCCCCC2CCC(CN2)O1

Scaffold Graph/Node level:
OC1CCCCCC2CCC(CN2)OC(O)CCCCCC2CCC(CN2)O1

Scaffold Graph level:
CC1CCCCCC2CCC(CC2)CC(C)CCCCCC2CCC(CC2)C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Macrolides and analogues

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Piperidine alkaloids

NP-Likeness score: 1.009

---

Chemical structure download