Summary

IMPPAT Phytochemical identifier: IMPHY000022

Phytochemical name: Myrcenol

Synonymous chemical names:
2-methyl-6-methylene-7-octen-2-ol, myrcenol

External chemical identifiers:
CID:10975, ChEBI:87529, ZINC:ZINC000002034834, FDASRS:X4XS5MYJ20, SureChEMBL:SCHEMBL111246

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Chemical structure information

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

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

InChIKey:
DUNCVNHORHNONW-UHFFFAOYSA-N

DeepSMILES:
C=CC=C)CCCCO)C)C

Functional groups:
C=CC(=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: 2.389

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Chemical structure download