Naphthacemycin A10

Details

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Internal ID 6d70b9db-6bfe-4c49-a372-fd9ceea00576
Taxonomy Benzenoids > Naphthacenes > Tetracenequinones
IUPAC Name 10-chloro-7-(3-chloro-2,4-dimethoxy-6-methylphenyl)-2,4-dihydroxy-9-methoxy-12,12-dimethyltetracene-5,6,11-trione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C30H24Cl2O8/c1-11-7-16(38-4)25(32)29(40-6)18(11)13-10-17(39-5)24(31)21-19(13)26(35)22-23(28(21)37)30(2,3)14-8-12(33)9-15(34)20(14)27(22)36/h7-10,33-34H,1-6H3
InChI Key IDZDEYHGDQMEAH-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C30H24Cl2O8
Molecular Weight 583.40 g/mol
Exact Mass 582.0848231 g/mol
Topological Polar Surface Area (TPSA) 119.00 Ų
XlogP 7.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Naphthacemycin A10

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 98.47% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.65% 95.56%
CHEMBL1929 P47989 Xanthine dehydrogenase 92.49% 96.12%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.83% 86.33%
CHEMBL3194 P02766 Transthyretin 91.82% 90.71%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.19% 94.00%
CHEMBL1937 Q92769 Histone deacetylase 2 90.70% 94.75%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 90.68% 99.15%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 89.75% 96.95%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 88.43% 96.38%
CHEMBL4208 P20618 Proteasome component C5 88.17% 90.00%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 86.21% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.58% 94.45%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 84.83% 91.07%
CHEMBL3401 O75469 Pregnane X receptor 84.77% 94.73%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 84.56% 94.42%
CHEMBL2535 P11166 Glucose transporter 83.19% 98.75%
CHEMBL2581 P07339 Cathepsin D 83.13% 98.95%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.29% 96.00%
CHEMBL2056 P21728 Dopamine D1 receptor 81.57% 91.00%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 81.35% 93.03%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 81.19% 96.09%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 80.75% 96.21%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 80.50% 96.67%

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 25206369
LOTUS LTS0121253
wikiData Q104168695