10'-Desmethoxystreptonigrin

Details

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Internal ID 62a073df-b5fa-48fd-9206-71bccdeb60f1
Taxonomy Organoheterocyclic compounds > Pyridines and derivatives > Bipyridines and oligopyridines
IUPAC Name 5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3-methoxyphenyl)-3-methylpyridine-2-carboxylic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C24H20N4O7/c1-9-14(10-5-4-6-13(34-2)20(10)29)15(25)19(28-17(9)24(32)33)12-8-7-11-18(27-12)22(31)16(26)23(35-3)21(11)30/h4-8,29H,25-26H2,1-3H3,(H,32,33)
InChI Key ULSNCNUVHUNMCF-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C24H20N4O7
Molecular Weight 476.40 g/mol
Exact Mass 476.13319899 g/mol
Topological Polar Surface Area (TPSA) 188.00 Ų
XlogP 1.80

Synonyms

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136803-89-9
10/'-desmethoxystreptonigrin
Desmethoxystreptonigrin, 10'-
CHEMBL101144
5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3-methoxyphenyl)-3-methylpyridine-2-carboxylic acid
10'-Demethoxystreptonigrin
BDBM50059847
AKOS040754727
2-Pyridinecarboxylic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3-methoxyphenyl)-3-methyl-
PD117398
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 10'-Desmethoxystreptonigrin

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
CHEMBL2581 P07339 Cathepsin D 95.89% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.72% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 95.67% 99.23%
CHEMBL301 P24941 Cyclin-dependent kinase 2 94.51% 91.23%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 92.35% 94.42%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 90.90% 96.67%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.63% 86.33%
CHEMBL262 P49841 Glycogen synthase kinase-3 beta 90.41% 95.72%
CHEMBL2535 P11166 Glucose transporter 88.62% 98.75%
CHEMBL308 P06493 Cyclin-dependent kinase 1 88.45% 91.73%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.36% 94.00%
CHEMBL1287628 Q9Y5S8 NADPH oxidase 1 88.23% 95.48%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 87.84% 81.11%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.58% 99.15%
CHEMBL2047 Q96RI1 Bile acid receptor FXR 86.05% 96.10%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.01% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.92% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.89% 91.11%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 85.61% 95.17%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.52% 96.00%
CHEMBL1255126 O15151 Protein Mdm4 84.81% 90.20%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 83.57% 96.21%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 82.04% 93.03%

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 131994
LOTUS LTS0100145
wikiData Q105275321