Pladienolide G

Details

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Internal ID e547c217-65a6-4df5-908d-8583fb9a78e9
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones
IUPAC Name (9E)-12-[(2E,4E)-7-[3-(2,3-dihydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-4,7,8-trihydroxy-7,11-dimethyl-1-oxacyclododec-9-en-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C28H46O8/c1-7-22(30)28(6,34)26-21(35-26)15-17(2)9-8-10-18(3)25-19(4)11-12-23(31)27(5,33)14-13-20(29)16-24(32)36-25/h8-12,17,19-23,25-26,29-31,33-34H,7,13-16H2,1-6H3/b9-8+,12-11+,18-10+
InChI Key GOQNOCIWFDQNEZ-AEXVIOBPSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C28H46O8
Molecular Weight 510.70 g/mol
Exact Mass 510.31926842 g/mol
Topological Polar Surface Area (TPSA) 140.00 Ų
XlogP 2.40

Synonyms

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SCHEMBL3626190

2D Structure

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2D Structure of Pladienolide G

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
CHEMBL253 P34972 Cannabinoid CB2 receptor 99.30% 97.25%
CHEMBL2581 P07339 Cathepsin D 99.10% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.81% 91.11%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 94.11% 89.34%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.62% 96.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.60% 89.00%
CHEMBL3401 O75469 Pregnane X receptor 90.32% 94.73%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.09% 95.56%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 89.15% 97.14%
CHEMBL3359 P21462 Formyl peptide receptor 1 88.54% 93.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.35% 86.33%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.24% 95.89%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.03% 100.00%
CHEMBL4227 P25090 Lipoxin A4 receptor 87.80% 100.00%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 86.74% 92.88%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 85.64% 96.90%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.53% 97.09%
CHEMBL2996 Q05655 Protein kinase C delta 84.40% 97.79%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 83.68% 100.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.51% 90.71%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 83.03% 95.89%
CHEMBL255 P29275 Adenosine A2b receptor 82.71% 98.59%
CHEMBL3232685 O00257 E3 SUMO-protein ligase CBX4 82.20% 93.00%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 81.50% 96.47%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.64% 94.45%
CHEMBL1871 P10275 Androgen Receptor 80.48% 96.43%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 80.36% 92.68%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 80.25% 85.11%

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 10391618
LOTUS LTS0094051
wikiData Q77376172