7-Hydroxyoctadecyl decanoate

Details

Top
Internal ID 25643d29-b167-4156-b330-49b5abec3220
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters
IUPAC Name 7-hydroxyoctadecyl decanoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C28H56O3/c1-3-5-7-9-11-12-14-15-19-23-27(29)24-20-17-18-22-26-31-28(30)25-21-16-13-10-8-6-4-2/h27,29H,3-26H2,1-2H3
InChI Key ZANFETDJGMCEOR-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C28H56O3
Molecular Weight 440.70 g/mol
Exact Mass 440.42294564 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 11.10

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 7-Hydroxyoctadecyl decanoate

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.57% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 97.34% 99.17%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 97.15% 97.29%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 94.67% 85.94%
CHEMBL2581 P07339 Cathepsin D 94.55% 98.95%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 92.79% 92.08%
CHEMBL299 P17252 Protein kinase C alpha 90.54% 98.03%
CHEMBL230 P35354 Cyclooxygenase-2 89.24% 89.63%
CHEMBL253 P34972 Cannabinoid CB2 receptor 89.02% 97.25%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 88.43% 96.00%
CHEMBL2885 P07451 Carbonic anhydrase III 86.49% 87.45%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 86.18% 92.86%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 85.74% 91.81%
CHEMBL4227 P25090 Lipoxin A4 receptor 84.72% 100.00%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 84.49% 100.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.35% 93.56%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 84.16% 95.17%
CHEMBL5255 O00206 Toll-like receptor 4 82.99% 92.50%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 82.27% 100.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.11% 90.71%
CHEMBL202 P00374 Dihydrofolate reductase 81.51% 89.92%
CHEMBL340 P08684 Cytochrome P450 3A4 81.05% 91.19%
CHEMBL4462 Q8IXJ6 NAD-dependent deacetylase sirtuin 2 81.05% 90.24%
CHEMBL4681 P42330 Aldo-keto-reductase family 1 member C3 80.41% 89.05%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 80.24% 94.33%

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.
Tectona grandis

Cross-Links

Top
PubChem 163037508
LOTUS LTS0084703
wikiData Q105369954