Summary

IMPPAT Phytochemical identifier: IMPHY004467

Phytochemical name: (2E)-2,6-dimethylocta-2,7-diene-1,6-diol

Synonymous chemical names:
2,6-dimethyl-octa-trans-2,7-diene-1,6-diol, 8-hydroxylinalool

External chemical identifiers:
CID:5280678, ChEBI:15662, SureChEMBL:SCHEMBL3499478

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Chemical structure information

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

InChI:
InChI=1S/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3/b9-6+

InChIKey:
NSMIMJYEKVSYMT-RMKNXTFCSA-N

DeepSMILES:
OC/C=C/CCCC=C))O)C)))))/C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 3.385

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Chemical structure download