4,5-Dihydroxy-1,2-dimethoxy-7-methylanthracene-9,10-dione

Details

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Internal ID c666aae6-3d85-43db-834c-48e6ba25e465
Taxonomy Benzenoids > Anthracenes > Anthraquinones
IUPAC Name 4,5-dihydroxy-1,2-dimethoxy-7-methylanthracene-9,10-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H14O6/c1-7-4-8-12(9(18)5-7)16(21)13-10(19)6-11(22-2)17(23-3)14(13)15(8)20/h4-6,18-19H,1-3H3
InChI Key XEWRTZLESCLJSY-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C17H14O6
Molecular Weight 314.29 g/mol
Exact Mass 314.07903816 g/mol
Topological Polar Surface Area (TPSA) 93.10 Ų
XlogP 3.00

Synonyms

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DTXSID70754987
4,5-Dihydroxy-1,2-dimethoxy-7-methylanthracene-9,10-dione
RefChem:96495
DTXCID10705731

2D Structure

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2D Structure of 4,5-Dihydroxy-1,2-dimethoxy-7-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 95.76% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 92.60% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.55% 94.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.33% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.86% 89.00%
CHEMBL2581 P07339 Cathepsin D 88.59% 98.95%
CHEMBL4208 P20618 Proteasome component C5 88.20% 90.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.74% 96.09%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.67% 99.15%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 85.09% 85.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.88% 86.33%
CHEMBL2535 P11166 Glucose transporter 84.03% 98.75%
CHEMBL1937 Q92769 Histone deacetylase 2 83.05% 94.75%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.39% 96.00%
CHEMBL2056 P21728 Dopamine D1 receptor 80.75% 91.00%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 80.58% 96.67%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.40% 99.17%

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.
Ventilago denticulata

Cross-Links

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PubChem 71325691
LOTUS LTS0085422
wikiData Q82706440