Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006395

Phytochemical name: (3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene

Synonymous chemical names:
(3e,7e)-4,8,12-trimethyltridena-1,3,7,11-tetraene, 3e,7e-4,8,12-trimethyltrideca-1,3,7,11-tetraene, 4,8,12-trimethyl-1,(3e),(7e),11-tridecatetraene, tmtt

External chemical identifiers:
CID:CID_6443227, ChEBI:CHEBI:74322, SureChEMBL:SCHEMBL6882595

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Chemical structure information

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

InChI:
InChI=1S/C16H26/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,9-10,13H,1,7-8,11-12H2,2-5H3/b15-9+,16-13+

InChIKey:
CWLVBFJCJXHUCF-RNPYNJAESA-N

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

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

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 2.183

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Chemical structure download