5-Hydroxy-9-dotriacontanone

Details

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Internal ID c8ff0832-bd91-49fa-9389-2bc75bff6139
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name 5-hydroxydotriacontan-9-one
SMILES (Canonical) CCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCC(CCCC)O
SMILES (Isomeric) CCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCC(CCCC)O
InChI InChI=1S/C32H64O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-32(34)30-26-29-31(33)27-6-4-2/h31,33H,3-30H2,1-2H3
InChI Key UQGQKURMRLAOIE-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C32H64O2
Molecular Weight 480.80 g/mol
Exact Mass 480.49063128 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 13.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-Hydroxy-9-dotriacontanone

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
CHEMBL2581 P07339 Cathepsin D 96.32% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.06% 96.09%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 94.97% 85.94%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 94.80% 97.29%
CHEMBL3060 Q9Y345 Glycine transporter 2 94.36% 99.17%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 90.91% 95.17%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 89.99% 92.86%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 89.85% 92.08%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 89.04% 91.81%
CHEMBL230 P35354 Cyclooxygenase-2 88.64% 89.63%
CHEMBL1907 P15144 Aminopeptidase N 87.03% 93.31%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.09% 93.56%
CHEMBL299 P17252 Protein kinase C alpha 85.75% 98.03%
CHEMBL253 P34972 Cannabinoid CB2 receptor 85.14% 97.25%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 84.14% 100.00%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 83.50% 100.00%
CHEMBL4227 P25090 Lipoxin A4 receptor 82.33% 100.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 82.16% 96.95%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.40% 90.71%

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.
Crinum asiaticum

Cross-Links

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PubChem 15730579
LOTUS LTS0221408
wikiData Q105277242