9,18-Dihydroxy-6,7-dimethoxy-13-methyl-12,19-dioxatricyclo[13.3.1.05,10]nonadeca-3,5(10),6,8-tetraene-11,17-dione

Details

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Internal ID 78a7c1d6-71cc-4ae8-bdd2-d367102a70d3
Taxonomy Phenylpropanoids and polyketides > Macrolides and analogues > Zearalenones
IUPAC Name 9,18-dihydroxy-6,7-dimethoxy-13-methyl-12,19-dioxatricyclo[13.3.1.05,10]nonadeca-3,5(10),6,8-tetraene-11,17-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H24O8/c1-10-7-11-8-14(22)18(23)15(28-11)6-4-5-12-17(20(24)27-10)13(21)9-16(25-2)19(12)26-3/h4-5,9-11,15,18,21,23H,6-8H2,1-3H3
InChI Key GHIZAOIXYHDIGF-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H24O8
Molecular Weight 392.40 g/mol
Exact Mass 392.14711772 g/mol
Topological Polar Surface Area (TPSA) 112.00 Ų
XlogP 2.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 9,18-Dihydroxy-6,7-dimethoxy-13-methyl-12,19-dioxatricyclo[13.3.1.05,10]nonadeca-3,5(10),6,8-tetraene-11,17-dione

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 98.33% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.56% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.57% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.78% 96.09%
CHEMBL4208 P20618 Proteasome component C5 90.37% 90.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.28% 89.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.89% 94.00%
CHEMBL2535 P11166 Glucose transporter 89.87% 98.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.49% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.19% 86.33%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 88.18% 91.07%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.79% 94.45%
CHEMBL3401 O75469 Pregnane X receptor 86.00% 94.73%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 85.79% 97.14%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 84.91% 82.38%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 84.81% 96.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.39% 99.23%
CHEMBL2581 P07339 Cathepsin D 83.90% 98.95%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 83.15% 97.21%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 82.61% 93.40%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 81.96% 82.67%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.24% 97.09%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 80.10% 99.15%

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 74426899
LOTUS LTS0148350
wikiData Q104167169