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

Details

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Internal ID 4366155b-add5-4b36-a161-ee41d660eacb
Taxonomy Phenylpropanoids and polyketides > Macrolides and analogues
IUPAC Name 16-hydroxy-18-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H24O5/c1-13-8-6-4-3-5-7-9-15(20)10-14-11-16(21)12-17(23-2)18(14)19(22)24-13/h7,9,11-13,21H,3-6,8,10H2,1-2H3
InChI Key KJSCBKPBVNGONE-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H24O5
Molecular Weight 332.40 g/mol
Exact Mass 332.16237386 g/mol
Topological Polar Surface Area (TPSA) 72.80 Ų
XlogP 3.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 16-Hydroxy-18-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-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 98.73% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.69% 95.56%
CHEMBL2581 P07339 Cathepsin D 93.40% 98.95%
CHEMBL4208 P20618 Proteasome component C5 92.83% 90.00%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 91.60% 96.21%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.74% 86.33%
CHEMBL5203 P33316 dUTP pyrophosphatase 90.23% 99.18%
CHEMBL2535 P11166 Glucose transporter 90.07% 98.75%
CHEMBL241 Q14432 Phosphodiesterase 3A 89.70% 92.94%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.51% 97.09%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 88.15% 97.14%
CHEMBL253 P34972 Cannabinoid CB2 receptor 88.12% 97.25%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 87.25% 92.62%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.05% 94.45%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 86.15% 91.07%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.55% 95.89%
CHEMBL340 P08684 Cytochrome P450 3A4 84.39% 91.19%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.05% 96.09%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.02% 94.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 82.25% 96.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.63% 89.00%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 81.36% 93.03%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.19% 99.23%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 80.99% 96.00%
CHEMBL5255 O00206 Toll-like receptor 4 80.95% 92.50%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.76% 99.17%

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 162952622
LOTUS LTS0131601
wikiData Q104170337