6-Hydroxy-3,7,9-trimethoxy-3-methyl-1,4-dihydrobenzo[g]isochromene-5,10-dione

Details

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Internal ID be83866d-ca5d-4ae4-8708-46f6b8ca61da
Taxonomy Phenylpropanoids and polyketides > Isochromanequinones > Benzoisochromanequinones
IUPAC Name 6-hydroxy-3,7,9-trimethoxy-3-methyl-1,4-dihydrobenzo[g]isochromene-5,10-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H18O7/c1-17(23-4)6-8-9(7-24-17)15(19)12-10(21-2)5-11(22-3)16(20)13(12)14(8)18/h5,20H,6-7H2,1-4H3
InChI Key HTKDSIDCAMCWKM-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H18O7
Molecular Weight 334.30 g/mol
Exact Mass 334.10525291 g/mol
Topological Polar Surface Area (TPSA) 91.30 Ų
XlogP 1.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6-Hydroxy-3,7,9-trimethoxy-3-methyl-1,4-dihydrobenzo[g]isochromene-5,10-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 98.40% 91.11%
CHEMBL2581 P07339 Cathepsin D 92.67% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.57% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.05% 96.09%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.07% 94.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.78% 94.45%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.57% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.09% 95.56%
CHEMBL241 Q14432 Phosphodiesterase 3A 85.83% 92.94%
CHEMBL4208 P20618 Proteasome component C5 84.35% 90.00%
CHEMBL2002 P12268 Inosine-5'-monophosphate dehydrogenase 2 84.15% 98.21%
CHEMBL1951 P21397 Monoamine oxidase A 83.00% 91.49%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.67% 95.89%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 81.97% 96.21%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 81.46% 85.14%
CHEMBL1937 Q92769 Histone deacetylase 2 80.91% 94.75%
CHEMBL1871 P10275 Androgen Receptor 80.21% 96.43%

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 101742847
LOTUS LTS0231930
wikiData Q105033472