Methyl 6,6a,7,12-tetrahydroxy-3,8,10a-trimethoxy-1-methyl-10,11-dioxo-6,7-dihydrotetracene-2-carboxylate

Details

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Internal ID 76eec6bf-ab8f-407a-9d30-28584bacca45
Taxonomy Benzenoids > Anthracenes > Anthracenecarboxylic acids and derivatives > Anthracenecarboxylic acids
IUPAC Name methyl 6,6a,7,12-tetrahydroxy-3,8,10a-trimethoxy-1-methyl-10,11-dioxo-6,7-dihydrotetracene-2-carboxylate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C24H24O11/c1-9-15-10(7-12(32-2)16(9)22(30)34-4)6-11-17(18(15)26)21(29)24(35-5)14(25)8-13(33-3)20(28)23(24,31)19(11)27/h6-8,19-20,26-28,31H,1-5H3
InChI Key DEJTXMUJTLOWTF-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C24H24O11
Molecular Weight 488.40 g/mol
Exact Mass 488.13186158 g/mol
Topological Polar Surface Area (TPSA) 169.00 Ų
XlogP 0.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Methyl 6,6a,7,12-tetrahydroxy-3,8,10a-trimethoxy-1-methyl-10,11-dioxo-6,7-dihydrotetracene-2-carboxylate

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
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 98.68% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.72% 91.11%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 91.85% 94.42%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 90.82% 95.17%
CHEMBL2581 P07339 Cathepsin D 90.35% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.41% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.67% 94.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.46% 99.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.95% 86.33%
CHEMBL2535 P11166 Glucose transporter 85.88% 98.75%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 85.84% 91.07%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.08% 89.00%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 83.88% 93.03%
CHEMBL340 P08684 Cytochrome P450 3A4 83.17% 91.19%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.05% 96.09%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.04% 90.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.03% 95.56%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 82.10% 92.62%
CHEMBL241 Q14432 Phosphodiesterase 3A 81.03% 92.94%

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 163025931
LOTUS LTS0121593
wikiData Q103818309