Summary

IMPPAT Phytochemical identifier: IMPHY015544

Phytochemical name: Canavalin

Synonymous chemical names:
canavalin

External chemical identifiers:
CID:10447484

---

Chemical structure information

SMILES:
CC(CCCCCCCCCC[C@@H]1CC[C@@H]([C@@H](N1)C)O)O

InChI:
InChI=1S/C18H37NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h15-21H,3-14H2,1-2H3/t15?,16-,17+,18-/m0/s1

InChIKey:
LWYXLXAMDLNBFQ-FBVQUNGASA-N

DeepSMILES:
CCCCCCCCCCCC[C@@H]CC[C@@H][C@@H]N6)C))O)))))))))))))))O

Functional groups:
CNC, CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCNCC1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Piperidine alkaloids

NP-Likeness score: 2.17

---

Chemical structure download