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
Chemical structure information
SMILES:
C/C=C(C=CC=C(CCC=C(C)C)/C)/CInChI:
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-NDeepSMILES:
C/C=CC=CC=CCCC=CC)C)))))/C)))))/CFunctional groups:
C/C=C(C)C=CC=C(C)C, CC=C(C)C
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire 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
Chemical structure download