Eutypellenoid C

Details

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Internal ID 2820c7a1-984e-4836-8292-58f3202ed4a5
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives
IUPAC Name [(1R,4S,10R,11R,13R)-11-acetyloxy-4-ethenyl-7-hydroxy-4,10-dimethyl-8-oxo-15-oxatetracyclo[7.6.1.01,6.013,16]hexadeca-6,9(16)-dien-10-yl]methyl 2-methylpropanoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C26H34O7/c1-7-24(5)8-9-26-17(11-24)21(28)22(29)20-19(26)16(12-32-26)10-18(33-15(4)27)25(20,6)13-31-23(30)14(2)3/h7,14,16,18,28H,1,8-13H2,2-6H3/t16-,18+,24-,25+,26-/m0/s1
InChI Key QUCYOIDEPYFKBP-CILJJMGQSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C26H34O7
Molecular Weight 458.50 g/mol
Exact Mass 458.23045342 g/mol
Topological Polar Surface Area (TPSA) 99.10 Ų
XlogP 2.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Eutypellenoid C

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 99.07% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.55% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 96.51% 97.25%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.02% 94.45%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 93.83% 96.77%
CHEMBL340 P08684 Cytochrome P450 3A4 93.13% 91.19%
CHEMBL2581 P07339 Cathepsin D 91.45% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.39% 89.00%
CHEMBL299 P17252 Protein kinase C alpha 90.60% 98.03%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.93% 97.09%
CHEMBL2179 P04062 Beta-glucocerebrosidase 87.41% 85.31%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 86.22% 82.69%
CHEMBL1937 Q92769 Histone deacetylase 2 86.18% 94.75%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 85.65% 91.07%
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 84.90% 91.24%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.03% 100.00%
CHEMBL5103 Q969S8 Histone deacetylase 10 84.00% 90.08%
CHEMBL236 P41143 Delta opioid receptor 83.81% 99.35%
CHEMBL2413 P32246 C-C chemokine receptor type 1 83.08% 89.50%
CHEMBL5028 O14672 ADAM10 82.32% 97.50%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.26% 95.56%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 81.77% 96.47%
CHEMBL4051 P13569 Cystic fibrosis transmembrane conductance regulator 81.39% 95.71%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.75% 99.23%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.37% 95.89%

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 139590712
LOTUS LTS0127414
wikiData Q105228100