Artomunoxanthone

Details

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Internal ID d46eb9ad-488c-4377-bff9-569ef601f654
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones
IUPAC Name 11,18,21-trihydroxy-19-methoxy-7,7-dimethyl-16-prop-1-en-2-yl-2,8-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one
SMILES (Canonical) CC(=C)C1CC2=C(C3=C1C(=C(C=C3O)OC)O)OC4=C(C2=O)C(=CC5=C4C=CC(O5)(C)C)O
SMILES (Isomeric) CC(=C)C1CC2=C(C3=C1C(=C(C=C3O)OC)O)OC4=C(C2=O)C(=CC5=C4C=CC(O5)(C)C)O
InChI InChI=1S/C26H24O7/c1-11(2)13-8-14-22(29)21-16(28)9-17-12(6-7-26(3,4)33-17)24(21)32-25(14)20-15(27)10-18(31-5)23(30)19(13)20/h6-7,9-10,13,27-28,30H,1,8H2,2-5H3
InChI Key JBNMCXJOVKMBOP-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C26H24O7
Molecular Weight 448.50 g/mol
Exact Mass 448.15220310 g/mol
Topological Polar Surface Area (TPSA) 105.00 Ų
XlogP 5.10

Synonyms

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LMPK12111529

2D Structure

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2D Structure of Artomunoxanthone

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 99.95% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 97.98% 94.45%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.73% 89.00%
CHEMBL1951 P21397 Monoamine oxidase A 94.41% 91.49%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.14% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 93.88% 85.14%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.25% 94.00%
CHEMBL2581 P07339 Cathepsin D 92.45% 98.95%
CHEMBL5608 Q16288 NT-3 growth factor receptor 90.73% 95.89%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.34% 95.56%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 89.28% 92.62%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.67% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.58% 99.23%
CHEMBL340 P08684 Cytochrome P450 3A4 85.95% 91.19%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 84.68% 96.21%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 84.15% 96.77%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.97% 92.94%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 83.10% 97.14%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.29% 99.17%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.25% 90.71%
CHEMBL4208 P20618 Proteasome component C5 81.40% 90.00%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.11% 100.00%
CHEMBL2535 P11166 Glucose transporter 80.10% 98.75%

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.
Artocarpus altilis

Cross-Links

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PubChem 15725887
LOTUS LTS0121819
wikiData Q105124459