Summary

IMPPAT Phytochemical identifier: IMPHY015646

Phytochemical name: 1-endo-Bourbonanol

Synonymous chemical names:
1-endo-bourbonanol, bourbonanol-endo-1, bourbonanol-endo-1*, endo-1-bourbonanol

External chemical identifiers:
CID:6430727

---

Chemical structure information

SMILES:
C=C1CCC2C1C1C2(C)CCC1(O)C(C)C

InChI:
InChI=1S/C15H24O/c1-9(2)15(16)8-7-14(4)11-6-5-10(3)12(11)13(14)15/h9,11-13,16H,3,5-8H2,1-2,4H3

InChIKey:
REMBOHXSSMDHAC-UHFFFAOYSA-N

DeepSMILES:
C=CCCCC5CC4C)CCC5O)CC)C

Functional groups:
C=C(C)C, CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2C3CCCC3C12

Scaffold Graph/Node level:
CC1CCC2C3CCCC3C12

Scaffold Graph level:
CC1CCC2C3CCCC3C12

---

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: Bourbonane sesquiterpenoids

NP-Likeness score: 3.188

---

Chemical structure download