9,10,18-Trihydroxy-15,16-dimethoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione

Details

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Internal ID 30342705-fe25-4c38-a8e3-4147fc0dfb45
Taxonomy Phenylpropanoids and polyketides > Macrolides and analogues > Zearalenones
IUPAC Name 9,10,18-trihydroxy-15,16-dimethoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H24O8/c1-11-6-4-8-13(21)18(24)14(22)9-5-7-12-17(20(25)28-11)15(23)10-16(26-2)19(12)27-3/h4-5,7-8,10-11,14,18,22-24H,6,9H2,1-3H3
InChI Key WLZACFNYSRUSIX-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) 123.00 Ų
XlogP 2.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 9,10,18-Trihydroxy-15,16-dimethoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-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 97.44% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 94.11% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.98% 95.56%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 93.26% 91.07%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.84% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.86% 89.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 87.87% 93.99%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.77% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.57% 99.17%
CHEMBL2535 P11166 Glucose transporter 86.49% 98.75%
CHEMBL1937 Q92769 Histone deacetylase 2 85.52% 94.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.52% 96.09%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 84.63% 82.67%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.42% 94.45%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.14% 99.23%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 83.58% 97.14%
CHEMBL2581 P07339 Cathepsin D 83.47% 98.95%
CHEMBL4208 P20618 Proteasome component C5 83.29% 90.00%
CHEMBL3401 O75469 Pregnane X receptor 81.87% 94.73%
CHEMBL340 P08684 Cytochrome P450 3A4 81.62% 91.19%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 81.41% 97.21%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 80.56% 82.38%

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 73689958
LOTUS LTS0209967
wikiData Q105308366