Summary

IMPPAT Phytochemical identifier: IMPHY006559

Phytochemical name: 3,7-Dimethyl-1,7-octadien-3-ol

Synonymous chemical names:
3,7-dimethyl-octa-1,7-dien-6-one, alpha-linalool

External chemical identifiers:
CID:69016, SureChEMBL:SCHEMBL11133217

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Chemical structure information

SMILES:
C=CC(CCCC(=C)C)(O)C

InChI:
InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,11H,1-2,6-8H2,3-4H3

InChIKey:
GYJHTGZQPKPEOT-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCC=C)C)))))O)C

Functional groups:
C=C(C)C, C=CC, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.293

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Chemical structure download