11-Methoxycurvularin

Details

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Internal ID abfd0d24-86c0-4fb1-9d92-c0cfd9614619
Taxonomy Phenylpropanoids and polyketides > Macrolides and analogues
IUPAC Name (5S)-13,15-dihydroxy-9-methoxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H22O6/c1-10-4-3-5-13(22-2)9-15(20)17-11(7-16(21)23-10)6-12(18)8-14(17)19/h6,8,10,13,18-19H,3-5,7,9H2,1-2H3/t10-,13?/m0/s1
InChI Key LBVPDFGFLMFDPI-NKUHCKNESA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C17H22O6
Molecular Weight 322.40 g/mol
Exact Mass 322.14163842 g/mol
Topological Polar Surface Area (TPSA) 93.10 Ų
XlogP 2.50

Synonyms

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CHEMBL485043

2D Structure

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2D Structure of 11-Methoxycurvularin

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 99.02% 91.11%
CHEMBL2581 P07339 Cathepsin D 94.42% 98.95%
CHEMBL241 Q14432 Phosphodiesterase 3A 94.30% 92.94%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.05% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.74% 94.45%
CHEMBL217 P14416 Dopamine D2 receptor 90.32% 95.62%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.02% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.43% 96.09%
CHEMBL1929 P47989 Xanthine dehydrogenase 88.89% 96.12%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.01% 95.89%
CHEMBL4208 P20618 Proteasome component C5 85.42% 90.00%
CHEMBL1902 P62942 FK506-binding protein 1A 84.97% 97.05%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 83.93% 96.00%
CHEMBL1951 P21397 Monoamine oxidase A 83.26% 91.49%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.52% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.34% 99.17%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.03% 99.23%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 81.71% 96.21%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 81.24% 99.15%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 81.19% 86.92%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.18% 89.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.08% 94.00%
CHEMBL340 P08684 Cytochrome P450 3A4 80.83% 91.19%
CHEMBL5255 O00206 Toll-like receptor 4 80.13% 92.50%

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 10381440
LOTUS LTS0203414
wikiData Q105149664