(13R)-nonacosan-13-ol

Details

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Internal ID 65dc8344-28a6-42f7-9e5b-20ee6ce5d1a0
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols
IUPAC Name (13R)-nonacosan-13-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C29H60O/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-29(30)27-25-23-21-19-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3/t29-/m1/s1
InChI Key WBSLSSVZLBCUIY-GDLZYMKVSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C29H60O
Molecular Weight 424.80 g/mol
Exact Mass 424.464416533 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 14.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (13R)-nonacosan-13-ol

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
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 95.98% 97.29%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 94.94% 92.86%
CHEMBL2581 P07339 Cathepsin D 94.76% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.95% 96.09%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 91.30% 92.08%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 90.13% 85.94%
CHEMBL2885 P07451 Carbonic anhydrase III 89.57% 87.45%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 87.86% 91.81%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.65% 99.17%
CHEMBL230 P35354 Cyclooxygenase-2 86.89% 89.63%
CHEMBL253 P34972 Cannabinoid CB2 receptor 86.49% 97.25%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.68% 93.56%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 84.12% 100.00%
CHEMBL1907 P15144 Aminopeptidase N 83.27% 93.31%
CHEMBL4462 Q8IXJ6 NAD-dependent deacetylase sirtuin 2 82.16% 90.24%
CHEMBL299 P17252 Protein kinase C alpha 81.11% 98.03%
CHEMBL2996 Q05655 Protein kinase C delta 80.11% 97.79%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 162789576
LOTUS LTS0104783
wikiData Q105301018