10,12-Octadecadienoic acid

Details

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Internal ID 81687b7d-cd90-449d-8c35-63ee15a45435
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives
IUPAC Name (10E,12E)-octadeca-10,12-dienoic acid
SMILES (Canonical) CCCCCC=CC=CCCCCCCCCC(=O)O
SMILES (Isomeric) CCCCC/C=C/C=C/CCCCCCCCC(=O)O
InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6+,9-8+
InChI Key GKJZMAHZJGSBKD-BLHCBFLLSA-N
Popularity 65 references in papers

Physical and Chemical Properties

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Molecular Formula C18H32O2
Molecular Weight 280.40 g/mol
Exact Mass 280.240230259 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 7.10

Synonyms

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22880-03-1
(10E,12E)-octadeca-10,12-dienoic acid
Mikusch's acid
10E,12E-octadecadienoic acid
trans-10, trans-12-octadecadienoic acid
CIS-10,TRANS-12-CONJUGATEDLINOLEICACID
C18:2n-6,8
Octadecadienic Acid Conjugated
10(e),12(z)-octadecadienoic acid
Linoleic Acid, Conjugated, CLA
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 10,12-Octadecadienoic acid

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
CHEMBL3060 Q9Y345 Glycine transporter 2 97.64% 99.17%
CHEMBL230 P35354 Cyclooxygenase-2 95.38% 89.63%
CHEMBL2581 P07339 Cathepsin D 95.35% 98.95%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 95.16% 92.08%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.99% 96.09%
CHEMBL1781 P11387 DNA topoisomerase I 91.42% 97.00%
CHEMBL221 P23219 Cyclooxygenase-1 88.48% 90.17%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 85.24% 96.95%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 84.84% 85.94%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 84.10% 96.00%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 83.86% 97.29%
CHEMBL3359 P21462 Formyl peptide receptor 1 82.12% 93.56%
CHEMBL5285 Q99683 Mitogen-activated protein kinase kinase kinase 5 81.28% 92.26%

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.
Leucosceptrum canum

Cross-Links

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PubChem 5282801
LOTUS LTS0126174
wikiData Q105010060