8-Demethoxy-10-deoxysteffimycinone

Details

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Internal ID c1dc62e4-d45d-4a72-8a57-89cdbee0bc98
Taxonomy Benzenoids > Naphthacenes > Tetracenequinones
IUPAC Name 4,6,7,9-tetrahydroxy-2-methoxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H18O7/c1-20(26)6-8-3-10-16(18(24)14(8)13(22)7-20)19(25)15-11(17(10)23)4-9(27-2)5-12(15)21/h3-5,13,21-22,24,26H,6-7H2,1-2H3
InChI Key PFPVOQDOTFXBGN-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C20H18O7
Molecular Weight 370.40 g/mol
Exact Mass 370.10525291 g/mol
Topological Polar Surface Area (TPSA) 124.00 Ų
XlogP 1.80

Synonyms

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SCHEMBL17354694
CHEBI:207366
4,6,7,9-tetrahydroxy-2-methoxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dione

2D Structure

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2D Structure of 8-Demethoxy-10-deoxysteffimycinone

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 99.53% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.20% 96.09%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 96.02% 96.38%
CHEMBL2581 P07339 Cathepsin D 94.71% 98.95%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 94.43% 91.07%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.16% 95.56%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 94.11% 99.15%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 93.09% 96.21%
CHEMBL4208 P20618 Proteasome component C5 91.98% 90.00%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 91.54% 92.68%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.25% 89.00%
CHEMBL226 P30542 Adenosine A1 receptor 89.61% 95.93%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 89.37% 96.77%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.16% 94.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.97% 99.23%
CHEMBL241 Q14432 Phosphodiesterase 3A 88.63% 92.94%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.43% 95.89%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 85.87% 95.89%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.79% 94.45%
CHEMBL2179 P04062 Beta-glucocerebrosidase 85.49% 85.31%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 84.81% 95.53%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 84.42% 97.14%
CHEMBL2056 P21728 Dopamine D1 receptor 84.37% 91.00%
CHEMBL1951 P21397 Monoamine oxidase A 84.28% 91.49%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 84.20% 85.14%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 83.97% 91.03%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 83.09% 91.79%
CHEMBL340 P08684 Cytochrome P450 3A4 83.02% 91.19%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.81% 97.09%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 82.78% 82.69%
CHEMBL2964 P36507 Dual specificity mitogen-activated protein kinase kinase 2 82.12% 80.00%
CHEMBL1937 Q92769 Histone deacetylase 2 82.03% 94.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.90% 86.33%

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 102111462
LOTUS LTS0053275
wikiData Q105207893