Summary

IMPPAT Phytochemical identifier: IMPHY014703

Phytochemical name: Longiborneol

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

External chemical identifiers:
CID:6432447, ChEBI:172936

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Chemical structure information

SMILES:
O[C@H]1C2C3C(C1(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?/m0/s1

InChIKey:
MNNFKQAYXGEKFA-MJBFILCRSA-N

DeepSMILES:
O[C@H]CCCC5C)CC5)))C)CCCC7C)C

Functional groups:
CO

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Molecular scaffolds

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

Scaffold Graph/Node level:
C1CCC2C3CCC2C(C1)C3

Scaffold Graph level:
C1CCC2C3CCC2C(C1)C3

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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

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Chemical structure download