Stearyl Alcohol

Details

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Internal ID 56d789e6-0251-45d4-a6ca-18e09b7344ea
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols
IUPAC Name octadecan-1-ol
SMILES (Canonical) CCCCCCCCCCCCCCCCCCO
SMILES (Isomeric) CCCCCCCCCCCCCCCCCCO
InChI InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3
InChI Key GLDOVTGHNKAZLK-UHFFFAOYSA-N
Popularity 1,921 references in papers

Physical and Chemical Properties

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Molecular Formula C18H38O
Molecular Weight 270.50 g/mol
Exact Mass 270.292265831 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 8.40

Synonyms

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Octadecan-1-ol
1-OCTADECANOL
Octadecanol
112-92-5
1-Hydroxyoctadecane
Octadecyl alcohol
n-Octadecanol
n-1-Octadecanol
Stearol
n-Octadecyl alcohol
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Stearyl Alcohol

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
CHEMBL1293235 P02545 Prelamin-A/C 2.5 nM
2.5 nM
354.8 nM
Potency
Potency
Potency
via CMAUP
via Super-PRED
via Super-PRED
CHEMBL1963 P16473 Thyroid stimulating hormone receptor 12.6 nM
Potency
via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL2885 P07451 Carbonic anhydrase III 94.65% 87.45%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 93.94% 97.29%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 93.31% 92.86%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 92.30% 92.08%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.12% 96.09%
CHEMBL230 P35354 Cyclooxygenase-2 90.28% 89.63%
CHEMBL2581 P07339 Cathepsin D 89.31% 98.95%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 88.08% 91.81%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.66% 99.17%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 82.08% 85.94%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 81.66% 96.95%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 81.40% 100.00%
CHEMBL2996 Q05655 Protein kinase C delta 80.02% 97.79%

Cross-Links

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PubChem 8221
NPASS NPC291158
ChEMBL CHEMBL24640
LOTUS LTS0222463
wikiData Q632384