Summary

IMPPAT Phytochemical identifier: IMPHY017642

Phytochemical name: delta-9,10-Eremophilen-11-ol

Synonymous chemical names:
δ9-10-eremophilen-11-ol

External chemical identifiers:
CID:6430758

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Chemical structure information

SMILES:
OCC(=C)C1CCC2C(C1)(C)C(C)CCC2

InChI:
InChI=1S/C15H26O/c1-11(10-16)13-7-8-14-6-4-5-12(2)15(14,3)9-13/h12-14,16H,1,4-10H2,2-3H3

InChIKey:
YFKUAXRWMHKXSN-UHFFFAOYSA-N

DeepSMILES:
OCC=C)CCCCCC6)C)CC)CCC6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCCC2C1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eremophilane sesquiterpenoids

NP-Likeness score: 2.342

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Chemical structure download