6-hydroxytetracenomycin C

Details

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Internal ID a40ea934-2f4f-4c1c-b545-d41c17b5b51c
Taxonomy Benzenoids > Naphthacenes > Tetracenequinones
IUPAC Name methyl (6aR,7S,10aR)-5,6a,7,10a,12-pentahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H20O12/c1-7-12-8(5-9(33-2)13(7)21(30)35-4)16(25)14-15(17(12)26)19(28)22(31)11(24)6-10(34-3)18(27)23(22,32)20(14)29/h5-6,18,25-27,31-32H,1-4H3/t18-,22-,23+/m1/s1
InChI Key XRCBZIHSIGHQGS-YSZBQJHXSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C23H20O12
Molecular Weight 488.40 g/mol
Exact Mass 488.09547607 g/mol
Topological Polar Surface Area (TPSA) 197.00 Ų
XlogP 0.60

Synonyms

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methyl (6aR,7S,10aR)-5,6a,7,10a,12-pentahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate
6-hydroxy TCM C
RefChem:104859
6-hydroxy-tetracenomycin C
CHEBI:209744

2D Structure

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2D Structure of 6-hydroxytetracenomycin C

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 99.29% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 96.98% 85.14%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.67% 94.45%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 92.48% 94.42%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.56% 94.00%
CHEMBL2535 P11166 Glucose transporter 89.61% 98.75%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.09% 89.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.81% 96.09%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 88.69% 95.17%
CHEMBL2581 P07339 Cathepsin D 86.88% 98.95%
CHEMBL241 Q14432 Phosphodiesterase 3A 86.24% 92.94%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.49% 99.23%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 85.38% 91.07%
CHEMBL4040 P28482 MAP kinase ERK2 85.36% 83.82%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.24% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.01% 95.89%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 82.35% 96.38%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.02% 90.71%
CHEMBL5925 P22413 Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 82.01% 92.38%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 81.42% 94.33%
CHEMBL213 P08588 Beta-1 adrenergic receptor 81.34% 95.56%
CHEMBL1871 P10275 Androgen Receptor 80.94% 96.43%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.30% 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 139586993
LOTUS LTS0070637
wikiData Q77518981