Summary

IMPPAT Phytochemical identifier: IMPHY014884

Phytochemical name: Cubebene

Synonymous chemical names:
cubebene, –cubebene

External chemical identifiers:
CID:91747196

---

Chemical structure information

SMILES:
CC([C@H]1CC[C@@H](C23[C@@H]1C2C(=CC3)C)C)C

InChI:
InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13?,14-,15?/m0/s1

InChIKey:
XUEHVOLRMXNRKQ-HKGGGCDWSA-N

DeepSMILES:
CC[C@H]CC[C@@H]C[C@@H]6C3C=CC6))C)))))C)))))C

Functional groups:
CC=C(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2C3CCCCC23C1

Scaffold Graph/Node level:
C1CCC23CCCC2C3C1

Scaffold Graph level:
C1CCC23CCCC2C3C1

---

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: Cubebane sesquiterpenoids

NP-Likeness score: 3.131

---

Chemical structure download