1-Hydroxy-3,8-dimethoxy-2-methylanthracene-9,10-dione

Details

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Internal ID d66e1562-11fa-4b66-9a62-214305fa761d
Taxonomy Benzenoids > Anthracenes > Anthraquinones
IUPAC Name 1-hydroxy-3,8-dimethoxy-2-methylanthracene-9,10-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H14O5/c1-8-12(22-3)7-10-14(15(8)18)17(20)13-9(16(10)19)5-4-6-11(13)21-2/h4-7,18H,1-3H3
InChI Key IRFOQCGIKSDHOX-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C17H14O5
Molecular Weight 298.29 g/mol
Exact Mass 298.08412354 g/mol
Topological Polar Surface Area (TPSA) 72.80 Ų
XlogP 3.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-Hydroxy-3,8-dimethoxy-2-methylanthracene-9,10-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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.63% 95.56%
CHEMBL2581 P07339 Cathepsin D 97.39% 98.95%
CHEMBL2535 P11166 Glucose transporter 94.43% 98.75%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.23% 89.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.64% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.21% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 88.59% 96.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.05% 99.23%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.13% 91.11%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 85.23% 96.67%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.26% 96.09%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 83.15% 93.03%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 83.03% 100.00%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 82.70% 96.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.38% 95.89%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.14% 99.15%
CHEMBL2056 P21728 Dopamine D1 receptor 82.04% 91.00%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 81.31% 96.21%

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 85930710
LOTUS LTS0081469
wikiData Q105118809