12-Methyl-1,5,9,11-tridecatetraene

Details

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Internal ID 91412a02-fd38-41d9-ab4e-240e1a44ba8f
Taxonomy Hydrocarbons > Unsaturated hydrocarbons > Olefins > Acyclic olefins > Alkatetraenes
IUPAC Name 12-methyltrideca-1,5,9,11-tetraene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H22/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h4,7-8,11-13H,1,5-6,9-10H2,2-3H3
InChI Key JSNIXUNQFVQSSK-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C14H22
Molecular Weight 190.32 g/mol
Exact Mass 190.172150702 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 5.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 12-Methyl-1,5,9,11-tridecatetraene

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.29% 96.09%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 86.19% 96.95%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 83.78% 97.21%
CHEMBL4040 P28482 MAP kinase ERK2 82.27% 83.82%

Cross-Links

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PubChem 564371
NPASS NPC116502