Rd toxin

Details

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Internal ID 178cbd54-3156-405c-8a1a-61c663627f01
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Trichothecenes
IUPAC Name (1R,2R,3S,10R)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
SMILES (Canonical) CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)CO
SMILES (Isomeric) CC1=CC2[C@]([C@@H](C1=O)O)([C@]3(C[C@H](C(C34CO4)O2)O)C)CO
InChI InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9?,11-,12?,13-,14-,15?/m1/s1
InChI Key LINOMUASTDIRTM-GPBIUMILSA-N
Popularity 2,445 references in papers

Physical and Chemical Properties

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Molecular Formula C15H20O6
Molecular Weight 296.31 g/mol
Exact Mass 296.12598835 g/mol
Topological Polar Surface Area (TPSA) 99.50 Ų
XlogP -0.70

Synonyms

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Rd toxin

2D Structure

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2D Structure of Rd toxin

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 96.97% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.22% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.68% 85.14%
CHEMBL2581 P07339 Cathepsin D 93.71% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.65% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.24% 94.45%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.18% 89.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.49% 97.09%
CHEMBL3401 O75469 Pregnane X receptor 86.26% 94.73%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.67% 86.33%
CHEMBL1994 P08235 Mineralocorticoid receptor 83.52% 100.00%
CHEMBL253 P34972 Cannabinoid CB2 receptor 82.06% 97.25%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.85% 99.23%

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 44715213
LOTUS LTS0131663
wikiData Q104385427