Summary

IMPPAT Phytochemical identifier: IMPHY003505

Phytochemical name: alpha-Kessyl alcohol

Synonymous chemical names:
alpha-kessyl alcohol, α-kessyl alcohol

External chemical identifiers:
CID:318771

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Chemical structure information

SMILES:
CC1CC(C2C1CC1CCC2(C)OC1(C)C)O

InChI:
InChI=1S/C15H26O2/c1-9-7-12(16)13-11(9)8-10-5-6-15(13,4)17-14(10,2)3/h9-13,16H,5-8H2,1-4H3

InChIKey:
ZADVMZUKWWMSLQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCC5CCCCC7C)OC6C)C))))))))))O

Functional groups:
CO, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC3CCC(OC3)C2C1

Scaffold Graph/Node level:
C1CC2CC3CCC(OC3)C2C1

Scaffold Graph level:
C1CC2CC3CCC(CC3)C2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxepanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Guaiane sesquiterpenoids

NP-Likeness score: 3.559

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Chemical structure download