Summary

IMPPAT Phytochemical identifier: IMPHY006534

Phytochemical name: (Z)2,(E)4,(E)6-Allofarnesene

Synonymous chemical names:
(2e,4e,63)-allofarnesene, 2z,4e,6e-allofarnesene

External chemical identifiers:
CID:6429217, ZINC:ZINC000113151302

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Chemical structure information

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

InChI:
InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,12H,7,11H2,1-5H3/b10-8+,14-6-,15-12+

InChIKey:
JEKGHHPMLRLCIW-PTXCUWFCSA-N

DeepSMILES:
C/C=CC=CC=CCCC=CC)C)))))/C)))))/C

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

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Farnesane sesquiterpenoids

NP-Likeness score: 2.92

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Chemical structure download