Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001338

Phytochemical name: (E)-4,8-Dimethyl-1,3,7-nonatriene

Synonymous chemical names:
4,8-dimethyl-1,3,7-nonatriene, 4,8 dimethylnona-1,3,7-triene, 4,8-dimethyl-1,3,7nonatriene, (3e)-4,8-dimethylnona-1,3,7-triene, (e)-4,8 dimethyl-1,3,7-nonatriene, e-48-dimethyl-137-nonatriene, e-4,8-dimethyl-1,3,7-nonatriene, (E)-4,8-Dimethyl-1,3,7-nonatriene, (e)-4,8-dimethyl-1,3,7-nonatriene

External chemical identifiers:
CID:CID_6427110, ChEBI:CHEBI:60158, ZINC:ZINC000055169533, SureChEMBL:SCHEMBL2146239

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Chemical structure information

SMILES:
C=C/C=C(/CCC=C(C)C)\C

InChI:
InChI=1S/C11H18/c1-5-7-11(4)9-6-8-10(2)3/h5,7-8H,1,6,9H2,2-4H3/b11-7+

InChIKey:
LUKZREJJLWEWQM-YRNVUSSQSA-N

DeepSMILES:
C=C/C=C/CCC=CC)C)))))\C

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

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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: Fatty acids, Terpenoids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 2.659

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Chemical structure download