Summary

IMPPAT Phytochemical identifier: IMPHY000287

Phytochemical name: 3,7-Dimethyl-8-(tetrahydro-2H-pyran-2-yloxy)-2,6-octadiene-1-ol

Synonymous chemical names:
3,7-dimethyl-1,6-octadien-3-ol

External chemical identifiers:
CID:11064987, SureChEMBL:SCHEMBL5745123

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Chemical structure information

SMILES:
OC/C=C(/CC/C=C(/COC1CCCCO1)C)C

InChI:
InChI=1S/C15H26O3/c1-13(9-10-16)6-5-7-14(2)12-18-15-8-3-4-11-17-15/h7,9,15-16H,3-6,8,10-12H2,1-2H3/b13-9+,14-7+

InChIKey:
YDZGVMBMEMKXNF-BTLVJFLNSA-N

DeepSMILES:
OC/C=C/CC/C=C/COCCCCCO6))))))))C)))))C

Functional groups:
C/C=C(/C)C, CO, COC(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOCC1

Scaffold Graph/Node level:
C1CCOCC1

Scaffold Graph level:
C1CCCCC1

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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: 1.789

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Chemical structure download