10-hydroxy-7,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-6,9-dione

Details

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Internal ID 27407b7b-1bc1-49df-ac02-a7a3b204b0b1
Taxonomy Phenylpropanoids and polyketides > Isochromanequinones
IUPAC Name 10-hydroxy-7,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-6,9-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H18O6/c1-7-5-9-6-10-12(14(19)11(9)8(2)23-7)15(20)17(22-4)16(21-3)13(10)18/h6-8,19H,5H2,1-4H3
InChI Key LFACVQZZUCLSKZ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H18O6
Molecular Weight 318.32 g/mol
Exact Mass 318.11033829 g/mol
Topological Polar Surface Area (TPSA) 82.10 Ų
XlogP 2.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 10-hydroxy-7,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-6,9-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 98.74% 91.11%
CHEMBL2581 P07339 Cathepsin D 96.92% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.90% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.21% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.43% 89.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.63% 97.09%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 90.56% 96.21%
CHEMBL1951 P21397 Monoamine oxidase A 88.93% 91.49%
CHEMBL3401 O75469 Pregnane X receptor 88.43% 94.73%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.40% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.00% 94.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.99% 95.89%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 84.48% 90.71%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.77% 92.94%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.47% 86.33%
CHEMBL2535 P11166 Glucose transporter 81.45% 98.75%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 80.95% 85.14%

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 14523290
LOTUS LTS0223781
wikiData Q105150914