Summary

IMPPAT Phytochemical identifier: IMPHY005974

Phytochemical name: Longicyclene

Synonymous chemical names:
longicyclene

External chemical identifiers:
CID:564934

---

Chemical structure information

SMILES:
CC1(C)CCCC2(C3C1C1C(C21C)C3)C

InChI:
InChI=1S/C15H24/c1-13(2)6-5-7-14(3)9-8-10-12(11(9)13)15(10,14)4/h9-12H,5-8H2,1-4H3

InChIKey:
WCEIQUQVIOGRBF-UHFFFAOYSA-N

DeepSMILES:
CCC)CCCCCC7CCC63C))C5)))))C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3CC4C(C3C1)C24

Scaffold Graph/Node level:
C1CCC2C3CC4C(C3C1)C24

Scaffold Graph level:
C1CCC2C3CC4C(C3C1)C24

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Longipinane sesquiterpenoids

NP-Likeness score: 2.827

---

Chemical structure download