Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002160

Phytochemical name: alpha-Fenchol

Synonymous chemical names:
α- fenchol, α- fenchyl alcohol, α- fenchol*, alpha-fenchyl alcohol, endo-fenchol (α-fenchol), alpha-fenchol, α-fenchol*, alpha-Fenchol, α-fenchol, α-fenchyl alcohol, fenchol (endo), endo- fenchol, endo-fenchol

External chemical identifiers:
CID:CID_439711, ChEBI:CHEBI:15405, ZINC:ZINC000001081099, FDASRS:UJ108AQX3M, SureChEMBL:SCHEMBL1245968, MolPort-002-506-889

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Chemical structure information

SMILES:
O[C@H]1[C@@]2(C)CC[C@@H](C1(C)C)C2

InChI:
InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m1/s1

InChIKey:
IAIHUHQCLTYTSF-MRTMQBJTSA-N

DeepSMILES:
O[C@H][C@@]C)CC[C@@H]C6C)C))C5

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC1C2

Scaffold Graph/Node level:
C1CC2CCC1C2

Scaffold Graph level:
C1CC2CCC1C2

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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: Monoterpenoids

NP Classifier Class: Fenchane monoterpenoids

NP-Likeness score: 2.679

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Chemical structure download