(4S)-4-Decanol

Details

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Internal ID 810fe604-72ad-4ad0-be9c-475dff0c8e15
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name (4S)-decan-4-ol
SMILES (Canonical) CCCCCCC(CCC)O
SMILES (Isomeric) CCCCCC[C@H](CCC)O
InChI InChI=1S/C10H22O/c1-3-5-6-7-9-10(11)8-4-2/h10-11H,3-9H2,1-2H3/t10-/m0/s1
InChI Key DTDMYWXTWWFLGJ-JTQLQIEISA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H22O
Molecular Weight 158.28 g/mol
Exact Mass 158.167065321 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 3.80

Synonyms

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120523-18-4
SCHEMBL3866606
DTXSID001020609
AKOS006271712

2D Structure

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2D Structure of (4S)-4-Decanol

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 96.19% 97.29%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 94.94% 92.86%
CHEMBL2581 P07339 Cathepsin D 94.74% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.28% 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 87.80% 99.17%
CHEMBL230 P35354 Cyclooxygenase-2 86.76% 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%
CHEMBL299 P17252 Protein kinase C alpha 82.84% 98.03%
CHEMBL4462 Q8IXJ6 NAD-dependent deacetylase sirtuin 2 82.16% 90.24%
CHEMBL1907 P15144 Aminopeptidase N 81.90% 93.31%
CHEMBL2996 Q05655 Protein kinase C delta 81.11% 97.79%
CHEMBL4105838 Q96GG9 DCN1-like protein 1 80.77% 95.00%

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.
Capillipedium parviflorum

Cross-Links

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PubChem 6999896
LOTUS LTS0077347
wikiData Q104988211