1,9-Octacosanediol

Details

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Internal ID b543d1cc-9a65-4796-9825-66f40db176e5
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name octacosane-1,9-diol
SMILES (Canonical) CCCCCCCCCCCCCCCCCCCC(CCCCCCCCO)O
SMILES (Isomeric) CCCCCCCCCCCCCCCCCCCC(CCCCCCCCO)O
InChI InChI=1S/C28H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28(30)26-23-20-17-18-21-24-27-29/h28-30H,2-27H2,1H3
InChI Key MTWCAGHCNATHOT-UHFFFAOYSA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C28H58O2
Molecular Weight 426.80 g/mol
Exact Mass 426.44368109 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 11.90

Synonyms

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DTXSID201315925
180005-28-1

2D Structure

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2D Structure of 1,9-Octacosanediol

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 97.40% 97.29%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 96.08% 92.86%
CHEMBL2885 P07451 Carbonic anhydrase III 95.26% 87.45%
CHEMBL2581 P07339 Cathepsin D 94.67% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.55% 96.09%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 91.14% 92.08%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 89.75% 91.81%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.23% 99.17%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 88.71% 85.94%
CHEMBL230 P35354 Cyclooxygenase-2 88.49% 89.63%
CHEMBL253 P34972 Cannabinoid CB2 receptor 86.78% 97.25%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 85.45% 100.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.68% 93.56%
CHEMBL1907 P15144 Aminopeptidase N 82.72% 93.31%
CHEMBL2996 Q05655 Protein kinase C delta 81.47% 97.79%
CHEMBL299 P17252 Protein kinase C alpha 81.16% 98.03%

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.
Papaver pygmaeum

Cross-Links

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PubChem 101995352
LOTUS LTS0209049
wikiData Q105171915