Cyclipostin P

Details

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Internal ID 36025afe-64b1-468d-b668-f6547fc2010d
Taxonomy Organoheterocyclic compounds > Lactones > Gamma butyrolactones
IUPAC Name (8aR)-3-hexadecoxy-5-methyl-3-oxo-8,8a-dihydro-1H-furo[3,4-e][1,3,2]dioxaphosphepin-6-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H41O6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-30(25)28-19-21-18-26-23(24)22(21)20(2)29-30/h21H,3-19H2,1-2H3/t21-,30?/m1/s1
InChI Key LXXPVFWDVXTYTB-BPADPFCFSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C23H41O6P
Molecular Weight 444.50 g/mol
Exact Mass 444.26407602 g/mol
Topological Polar Surface Area (TPSA) 71.10 Ų
XlogP 7.50

Synonyms

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RefChem:129210
(8aR)-3-hexadecoxy-5-methyl-3-oxo-8,8a-dihydro-1H-furo(3,4-e)(1,3,2)dioxaphosphepin-6-one
372091-46-8
CHEBI:214487
LXXPVFWDVXTYTB-BPADPFCFSA-N
(8aR)-3-hexadecoxy-5-methyl-3-oxo-8,8a-dihydro-1H-uro[3,4-e][1,3,2]dioxaphosphepin-6-one

2D Structure

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2D Structure of Cyclipostin P

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 96.67% 98.95%
CHEMBL230 P35354 Cyclooxygenase-2 96.29% 89.63%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 95.21% 85.94%
CHEMBL253 P34972 Cannabinoid CB2 receptor 93.86% 97.25%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.22% 99.17%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 89.53% 92.08%
CHEMBL1075162 Q13304 Uracil nucleotide/cysteinyl leukotriene receptor 86.14% 80.33%
CHEMBL5103 Q969S8 Histone deacetylase 10 85.86% 90.08%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.89% 99.23%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.79% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 84.41% 94.73%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.09% 97.09%
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 82.69% 91.24%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.71% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.38% 96.09%

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 101182228
LOTUS LTS0180234
wikiData Q105159150