Gallicynoic Acid H

Details

Top
Internal ID f8126836-9a3d-4cd8-a54b-15afdea0eabc
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
IUPAC Name (9S,12R)-9,12-dihydroxyhexadec-10-ynoic acid
SMILES (Canonical) CCCCC(C#CC(CCCCCCCC(=O)O)O)O
SMILES (Isomeric) CCCC[C@H](C#C[C@H](CCCCCCCC(=O)O)O)O
InChI InChI=1S/C16H28O4/c1-2-3-9-14(17)12-13-15(18)10-7-5-4-6-8-11-16(19)20/h14-15,17-18H,2-11H2,1H3,(H,19,20)/t14-,15+/m1/s1
InChI Key VAEJVKIWYRYFDG-CABCVRRESA-N
Popularity 1 reference in papers

Physical and Chemical Properties

Top
Molecular Formula C16H28O4
Molecular Weight 284.39 g/mol
Exact Mass 284.19875937 g/mol
Topological Polar Surface Area (TPSA) 77.80 Ų
XlogP 3.00

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of Gallicynoic Acid H

3D Structure

Top

ADMET Properties (via admetSAR 2)

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

Targets

Top

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
CHEMBL2581 P07339 Cathepsin D 97.62% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.54% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 95.65% 99.17%
CHEMBL221 P23219 Cyclooxygenase-1 94.09% 90.17%
CHEMBL3359 P21462 Formyl peptide receptor 1 89.40% 93.56%
CHEMBL1907 P15144 Aminopeptidase N 88.51% 93.31%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 88.23% 85.94%
CHEMBL4040 P28482 MAP kinase ERK2 87.05% 83.82%
CHEMBL5285 Q99683 Mitogen-activated protein kinase kinase kinase 5 86.29% 92.26%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 85.20% 97.29%
CHEMBL1781 P11387 DNA topoisomerase I 85.17% 97.00%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 84.52% 92.08%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 84.38% 100.00%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 82.99% 95.17%
CHEMBL4227 P25090 Lipoxin A4 receptor 81.78% 100.00%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 81.34% 91.81%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 80.36% 96.00%

Plants that contains it

Top
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.
Chaenomeles sinensis

Cross-Links

Top
PubChem 24800368
NPASS NPC136369
LOTUS LTS0087285
wikiData Q77380921