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

Details

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Internal ID 10a6ad8f-c668-4a6d-bbab-deb1373c6fee
Taxonomy Phenylpropanoids and polyketides > Macrolides and analogues > Zearalenones
IUPAC Name 9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h4,6,9-11,15,18,21-23H,3,5,7-8H2,1-2H3
InChI Key WFIUAGOQGGAREU-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H24O7
Molecular Weight 364.40 g/mol
Exact Mass 364.15220310 g/mol
Topological Polar Surface Area (TPSA) 113.00 Ų
XlogP 2.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 9,10,18-Trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-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 97.63% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 96.94% 85.14%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 95.81% 91.07%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.40% 95.56%
CHEMBL2581 P07339 Cathepsin D 95.06% 98.95%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 94.00% 99.15%
CHEMBL3137262 O60341 LSD1/CoREST complex 93.00% 97.09%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 92.08% 82.67%
CHEMBL2964 P36507 Dual specificity mitogen-activated protein kinase kinase 2 88.71% 80.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.51% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.04% 94.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.92% 95.89%
CHEMBL4208 P20618 Proteasome component C5 86.51% 90.00%
CHEMBL2535 P11166 Glucose transporter 85.44% 98.75%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.11% 89.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 85.03% 92.62%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.92% 96.09%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 83.70% 97.14%
CHEMBL5203 P33316 dUTP pyrophosphatase 83.13% 99.18%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.25% 92.94%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.81% 99.17%
CHEMBL3192 Q9BY41 Histone deacetylase 8 81.20% 93.99%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

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PubChem 73321135
LOTUS LTS0076877
wikiData Q105303935