(32S)-32-hydroxyhexatriacontan-4-one

Details

Top
Internal ID d779c1ab-ce38-450d-bc8e-82c88853527f
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name (32S)-32-hydroxyhexatriacontan-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C36H72O2/c1-3-5-32-36(38)34-30-28-26-24-22-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-23-25-27-29-33-35(37)31-4-2/h36,38H,3-34H2,1-2H3/t36-/m0/s1
InChI Key NZLOZMNHKAHIRJ-BHVANESWSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C36H72O2
Molecular Weight 537.00 g/mol
Exact Mass 536.55323154 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 15.40

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of (32S)-32-hydroxyhexatriacontan-4-one

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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 96.20% 98.95%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 94.18% 85.94%
CHEMBL4040 P28482 MAP kinase ERK2 93.84% 83.82%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 93.71% 97.29%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.66% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.44% 99.17%
CHEMBL1907 P15144 Aminopeptidase N 89.55% 93.31%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 88.85% 95.17%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 86.41% 92.08%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.10% 93.56%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 85.90% 91.81%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 85.63% 92.86%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 84.23% 100.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 82.72% 91.11%
CHEMBL299 P17252 Protein kinase C alpha 81.98% 98.03%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 80.81% 92.29%
CHEMBL4227 P25090 Lipoxin A4 receptor 80.46% 100.00%

Plants that contains it

Top
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

Top
PubChem 163188296
LOTUS LTS0055786
wikiData Q105188222