Summary

IMPPAT Phytochemical identifier: IMPHY001696

Phytochemical name: Cembrane

Synonymous chemical names:
cembrane

External chemical identifiers:
CID:15702, ChEBI:60689, SureChEMBL:SCHEMBL1164447

---

Chemical structure information

SMILES:
CC1CCCC(C)CCCC(CCC(CC1)C(C)C)C

InChI:
InChI=1S/C20H40/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h16-20H,6-15H2,1-5H3

InChIKey:
LHORCXXUZJAMPU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC)CCCCCCCCC%14))CC)C)))))C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCCCCCCCCCC1

Scaffold Graph/Node level:
C1CCCCCCCCCCCCC1

Scaffold Graph level:
C1CCCCCCCCCCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Cembrane diterpenoids

NP-Likeness score: 0.228

---

Chemical structure download