(7S)-7-hydroxynonadecan-2-one

Details

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Internal ID a2134a0b-efaf-492a-87b5-0487018ced8d
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols
IUPAC Name (7S)-7-hydroxynonadecan-2-one
SMILES (Canonical) CCCCCCCCCCCCC(CCCCC(=O)C)O
SMILES (Isomeric) CCCCCCCCCCCC[C@@H](CCCCC(=O)C)O
InChI InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-16-19(21)17-14-13-15-18(2)20/h19,21H,3-17H2,1-2H3/t19-/m0/s1
InChI Key QFPLUTXQKYJJTH-IBGZPJMESA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H38O2
Molecular Weight 298.50 g/mol
Exact Mass 298.287180451 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 6.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (7S)-7-hydroxynonadecan-2-one

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 96.93% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.78% 96.09%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 95.10% 97.29%
CHEMBL3060 Q9Y345 Glycine transporter 2 94.84% 99.17%
CHEMBL4040 P28482 MAP kinase ERK2 90.63% 83.82%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 90.35% 85.94%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 90.04% 92.86%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 89.81% 92.08%
CHEMBL230 P35354 Cyclooxygenase-2 86.97% 89.63%
CHEMBL253 P34972 Cannabinoid CB2 receptor 86.96% 97.25%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.23% 93.56%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 85.28% 100.00%
CHEMBL299 P17252 Protein kinase C alpha 83.52% 98.03%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 82.80% 97.21%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 82.79% 91.81%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.94% 91.11%
CHEMBL4227 P25090 Lipoxin A4 receptor 81.85% 100.00%
CHEMBL256 P0DMS8 Adenosine A3 receptor 80.59% 95.93%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 80.10% 100.00%

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.
Diospyros malabarica

Cross-Links

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PubChem 162914697
LOTUS LTS0252143
wikiData Q105219708