(Z)2,(E)4,(E)6-Allofarnesene

Details

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Internal ID 6a6f081c-3141-4d02-8563-2cf986ade3f4
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name (2Z,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraene
SMILES (Canonical) CC=C(C)C=CC=C(C)CCC=C(C)C
SMILES (Isomeric) C/C=C(/C)\C=C\C=C(/C)\CCC=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+
InChI Key JEKGHHPMLRLCIW-PTXCUWFCSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24
Molecular Weight 204.35 g/mol
Exact Mass 204.187800766 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 6.10

Synonyms

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2Z,4E,6E-Allofarnesene
JEKGHHPMLRLCIW-PTXCUWFCSA-N
DTXSID501221612
26560-15-6
(2z,4e,6e)-3,7,11-trimethyl-2,4,6,10-dodecatetraene

2D Structure

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2D Structure of (Z)2,(E)4,(E)6-Allofarnesene

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 87.03% 92.08%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.29% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.97% 96.09%
CHEMBL3401 O75469 Pregnane X receptor 84.97% 94.73%
CHEMBL2581 P07339 Cathepsin D 81.13% 98.95%
CHEMBL221 P23219 Cyclooxygenase-1 80.56% 90.17%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Perilla frutescens

Cross-Links

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PubChem 6429217
LOTUS LTS0198484
wikiData Q105126158