Summary

IMPPAT Phytochemical identifier: IMPHY001227

Phytochemical name: Conhydrine

Synonymous chemical names:
alpha-conhyrdine, conhydrine

External chemical identifiers:
CID:10314, SureChEMBL:SCHEMBL1932043, MolPort-020-088-284

---

Chemical structure information

SMILES:
CCC(C1CCCCN1)O

InChI:
InChI=1S/C8H17NO/c1-2-8(10)7-5-3-4-6-9-7/h7-10H,2-6H2,1H3

InChIKey:
VCCAAURNBULZRR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCN6))))))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: Organoheterocyclic compounds

ClassyFire Class: Piperidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Acetate-derived alkaloids

NP-Likeness score: 1.374

---

Chemical structure download