Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002657

Phytochemical name: Longiborneol

Synonymous chemical names:
longiborneol, Longiborneol, (+)-longiborneol, (+)longiborneol

External chemical identifiers:
CID:CID_11447401

---

Chemical structure information

SMILES:
O[C@H]1[C@H]2[C@@H]3[C@]([C@@]1(C)CC3)(C)CCCC2(C)C

InChI:
InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)10-6-9-15(14,4)12(16)11(10)13/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14+,15+/m1/s1

InChIKey:
MNNFKQAYXGEKFA-MUGBGTHKSA-N

DeepSMILES:
O[C@H][C@H][C@@H][C@][C@@]5C)CC5)))C)CCCC7C)C

Functional groups:
CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3CCC2C(C1)C3

Scaffold Graph/Node level:
C1CCC2C3CCC2C(C1)C3

Scaffold Graph level:
C1CCC2C3CCC2C(C1)C3

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Longibornane sesquiterpenoids

NP-Likeness score: 2.823

---

Chemical structure download