Summary

IMPPAT Phytochemical identifier: IMPHY006416

Phytochemical name: 2,6-Dimethyl-5,7-octadien-2-ol

Synonymous chemical names:
2,6-dimethyl-5,7-octadien-2-ol, ocimenol

External chemical identifiers:
CID:5368785, ZINC:ZINC000033843063, SureChEMBL:SCHEMBL111319

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Chemical structure information

SMILES:
C=C/C(=C/CCC(O)(C)C)/C

InChI:
InChI=1S/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,7,11H,1,6,8H2,2-4H3/b9-7+

InChIKey:
IJFKZRMIRAVXRK-VQHVLOKHSA-N

DeepSMILES:
C=C/C=C/CCCO)C)C)))))/C

Functional groups:
C=C/C(C)=C/C, 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: 2.85

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Chemical structure download