(8R,34R)-34-hydroxy-8-methylheptatriacontan-5-one

Details

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Internal ID ed0950fd-1d09-4227-ac19-3072d93b6301
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name (8R,34R)-34-hydroxy-8-methylheptatriacontan-5-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C38H76O2/c1-4-6-32-38(40)35-34-36(3)31-28-26-24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25-27-29-33-37(39)30-5-2/h36-37,39H,4-35H2,1-3H3/t36-,37-/m1/s1
InChI Key YCQYWJIKNVININ-FZNHDDJXSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C38H76O2
Molecular Weight 565.00 g/mol
Exact Mass 564.58453166 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 16.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (8R,34R)-34-hydroxy-8-methylheptatriacontan-5-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 96.71% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.28% 96.09%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 94.61% 97.29%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 94.52% 85.94%
CHEMBL253 P34972 Cannabinoid CB2 receptor 91.28% 97.25%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.62% 99.17%
CHEMBL3359 P21462 Formyl peptide receptor 1 89.42% 93.56%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 88.24% 100.00%
CHEMBL2885 P07451 Carbonic anhydrase III 88.03% 87.45%
CHEMBL221 P23219 Cyclooxygenase-1 87.04% 90.17%
CHEMBL5285 Q99683 Mitogen-activated protein kinase kinase kinase 5 86.44% 92.26%
CHEMBL1907 P15144 Aminopeptidase N 85.98% 93.31%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 85.81% 92.86%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 84.97% 90.71%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 83.50% 100.00%
CHEMBL299 P17252 Protein kinase C alpha 83.09% 98.03%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 82.70% 96.47%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 82.60% 89.34%
CHEMBL4227 P25090 Lipoxin A4 receptor 82.18% 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.
Mansoa alliacea

Cross-Links

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PubChem 163085638
LOTUS LTS0087353
wikiData Q105346425