Tetracenomycin M

Details

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Internal ID 5b903e10-ad03-4d5e-b307-1ba4b607c643
Taxonomy Benzenoids > Naphthacenes > Tetracenequinones
IUPAC Name 1,3,8,10,11-pentahydroxy-10-methyl-8,9-dihydro-7H-tetracene-5,12-dione
SMILES (Canonical) CC1(CC(CC2=CC3=C(C(=C21)O)C(=O)C4=C(C3=O)C=C(C=C4O)O)O)O
SMILES (Isomeric) CC1(CC(CC2=CC3=C(C(=C21)O)C(=O)C4=C(C3=O)C=C(C=C4O)O)O)O
InChI InChI=1S/C19H16O7/c1-19(26)6-9(21)2-7-3-10-14(18(25)15(7)19)17(24)13-11(16(10)23)4-8(20)5-12(13)22/h3-5,9,20-22,25-26H,2,6H2,1H3
InChI Key WBICYHCOBLVBMM-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H16O7
Molecular Weight 356.30 g/mol
Exact Mass 356.08960285 g/mol
Topological Polar Surface Area (TPSA) 135.00 Ų
XlogP 1.50

Synonyms

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1,3,8,10,11-pentahydroxy-10-methyl-7,8,9,10-tetrahydrotetracene-5,12-dione
CHEBI:32208
1,3,8,10,11-pentahydroxy-10-methyl-8,9-dihydro-7H-tetracene-5,12-dione
Q27114827

2D Structure

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2D Structure of Tetracenomycin M

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 99.01% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 98.72% 91.49%
CHEMBL2581 P07339 Cathepsin D 97.60% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.36% 96.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 95.27% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 94.79% 99.23%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.12% 95.56%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 93.63% 96.38%
CHEMBL217 P14416 Dopamine D2 receptor 92.31% 95.62%
CHEMBL1929 P47989 Xanthine dehydrogenase 90.86% 96.12%
CHEMBL1994 P08235 Mineralocorticoid receptor 90.49% 100.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 88.91% 90.71%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.24% 95.89%
CHEMBL4208 P20618 Proteasome component C5 88.20% 90.00%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 85.17% 96.21%
CHEMBL226 P30542 Adenosine A1 receptor 84.73% 95.93%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 82.68% 92.68%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.56% 97.09%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 81.66% 99.15%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 81.63% 93.03%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.93% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.69% 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 443784
LOTUS LTS0099587
wikiData Q27114827