Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018092

Phytochemical name: beta-Fenchyl alcohol

Synonymous chemical names:
beta-Fenchyl alcohol

External chemical identifiers:
CID:CID_6973643, ZINC:ZINC000001850974, FDASRS:Y37DL02GI6|VME478566V

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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+/m0/s1

InChIKey:
IAIHUHQCLTYTSF-QXFUBDJGSA-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