Summary

IMPPAT Phytochemical identifier: IMPHY004961

Phytochemical name: (E)-2,5,5-Trimethylhepta-3,6-dien-2-ol

Synonymous chemical names:
yomogi alcohol, yomogi-alcohol

External chemical identifiers:
CID:5315406, ZINC:ZINC000005355869, SureChEMBL:SCHEMBL1064900

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Chemical structure information

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

InChI:
InChI=1S/C10H18O/c1-6-9(2,3)7-8-10(4,5)11/h6-8,11H,1H2,2-5H3/b8-7+

InChIKey:
CSMMFGCGBLZIJE-BQYQJAHWSA-N

DeepSMILES:
C=CC/C=C/CO)C)C))))C)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: Irregular monoterpenoids

NP-Likeness score: 2.096

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Chemical structure download