Pezizolide D

Details

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Internal ID 3cf1686c-8c7d-4d43-afc7-6bf0bbeefb80
Taxonomy Organoheterocyclic compounds > Lactones > Gamma butyrolactones
IUPAC Name 3-[2-[(2R,4R)-4-hydroxy-2-methyl-5-oxooxolan-2-yl]ethyl]-4-[(Z)-prop-1-enyl]-2H-furan-5-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H18O5/c1-3-4-10-9(8-18-12(10)16)5-6-14(2)7-11(15)13(17)19-14/h3-4,11,15H,5-8H2,1-2H3/b4-3-/t11-,14-/m1/s1
InChI Key AHSPKWNQZCGQGZ-LAPROLRISA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C14H18O5
Molecular Weight 266.29 g/mol
Exact Mass 266.11542367 g/mol
Topological Polar Surface Area (TPSA) 72.80 Ų
XlogP 1.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Pezizolide 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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.23% 91.11%
CHEMBL253 P34972 Cannabinoid CB2 receptor 94.42% 97.25%
CHEMBL2581 P07339 Cathepsin D 92.68% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.99% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.87% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.45% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.12% 97.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.59% 89.00%
CHEMBL218 P21554 Cannabinoid CB1 receptor 83.74% 96.61%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.56% 86.33%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.63% 100.00%
CHEMBL3401 O75469 Pregnane X receptor 80.84% 94.73%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.17% 96.95%

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 139584114
LOTUS LTS0079049
wikiData Q77279827