Salinipostin D

Details

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Internal ID 49358ee4-8659-4fea-843e-664ee56f2510
Taxonomy Organoheterocyclic compounds > Lactones > Gamma butyrolactones
IUPAC Name (3R,8aS)-5-(2-methylpropyl)-3-oxo-3-tetradecoxy-8,8a-dihydro-1H-furo[3,4-e][1,3,2]dioxaphosphepin-6-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C24H43O6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-28-31(26)29-19-21-18-27-24(25)23(21)22(30-31)17-20(2)3/h20-21H,4-19H2,1-3H3/t21-,31+/m0/s1
InChI Key YCFBNOVXGOIKRF-JCOAXYOVSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C24H43O6P
Molecular Weight 458.60 g/mol
Exact Mass 458.27972608 g/mol
Topological Polar Surface Area (TPSA) 71.10 Ų
XlogP 7.60

Synonyms

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(3R,8aS)-5-isobutyl-3-oxo-3-tetradecoxy-8,8a-dihydro-1H-furo[3,4-e][1,3,2]dioxaphosphepin-6-one

2D Structure

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2D Structure of Salinipostin D

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 98.67% 98.95%
CHEMBL230 P35354 Cyclooxygenase-2 97.00% 89.63%
CHEMBL3060 Q9Y345 Glycine transporter 2 94.40% 99.17%
CHEMBL253 P34972 Cannabinoid CB2 receptor 93.15% 97.25%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 92.97% 85.94%
CHEMBL3837 P07711 Cathepsin L 92.13% 96.61%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 89.73% 92.88%
CHEMBL3359 P21462 Formyl peptide receptor 1 89.14% 93.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.78% 97.09%
CHEMBL321 P14780 Matrix metalloproteinase 9 87.58% 92.12%
CHEMBL5103 Q969S8 Histone deacetylase 10 86.97% 90.08%
CHEMBL4462 Q8IXJ6 NAD-dependent deacetylase sirtuin 2 86.38% 90.24%
CHEMBL2996 Q05655 Protein kinase C delta 86.29% 97.79%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.78% 96.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.33% 99.23%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 84.91% 92.08%
CHEMBL1075162 Q13304 Uracil nucleotide/cysteinyl leukotriene receptor 84.75% 80.33%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 84.54% 97.29%
CHEMBL4835 P00338 L-lactate dehydrogenase A chain 84.46% 95.34%
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 83.98% 91.24%
CHEMBL3401 O75469 Pregnane X receptor 82.49% 94.73%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.89% 91.11%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 80.91% 96.47%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.56% 94.45%
CHEMBL221 P23219 Cyclooxygenase-1 80.41% 90.17%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 129903222
LOTUS LTS0123888
wikiData Q75062141