Diazaquinomycin H

Details

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Internal ID 9da6a2bd-dc67-4dd3-b6ce-32bf9562dfaf
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Quinoline quinones
IUPAC Name 6-methyl-4-(7-methyloctyl)-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone
SMILES (Canonical) CC1=CC(=O)NC2=C1C(=O)C3=C(C2=O)NC(=O)C=C3CCCCCCC(C)C
SMILES (Isomeric) CC1=CC(=O)NC2=C1C(=O)C3=C(C2=O)NC(=O)C=C3CCCCCCC(C)C
InChI InChI=1S/C22H26N2O4/c1-12(2)8-6-4-5-7-9-14-11-16(26)24-20-18(14)21(27)17-13(3)10-15(25)23-19(17)22(20)28/h10-12H,4-9H2,1-3H3,(H,23,25)(H,24,26)
InChI Key ZMMKQTMMGUIIJM-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C22H26N2O4
Molecular Weight 382.50 g/mol
Exact Mass 382.18925731 g/mol
Topological Polar Surface Area (TPSA) 92.30 Ų
XlogP 3.10

Synonyms

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DAQH
6-methyl-4-(7-methyloctyl)-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone

2D Structure

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2D Structure of Diazaquinomycin H

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 98.01% 98.95%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 95.48% 94.80%
CHEMBL3401 O75469 Pregnane X receptor 94.73% 94.73%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.03% 95.56%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 93.61% 90.71%
CHEMBL1937 Q92769 Histone deacetylase 2 91.02% 94.75%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.25% 91.11%
CHEMBL255 P29275 Adenosine A2b receptor 89.53% 98.59%
CHEMBL2885 P07451 Carbonic anhydrase III 89.22% 87.45%
CHEMBL1907 P15144 Aminopeptidase N 88.69% 93.31%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.73% 94.45%
CHEMBL2179 P04062 Beta-glucocerebrosidase 87.45% 85.31%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 86.62% 96.38%
CHEMBL1871 P10275 Androgen Receptor 86.21% 96.43%
CHEMBL4581 P52732 Kinesin-like protein 1 86.18% 93.18%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.18% 93.99%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.96% 96.09%
CHEMBL4302 P08183 P-glycoprotein 1 82.73% 92.98%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.63% 96.00%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 81.20% 96.47%
CHEMBL230 P35354 Cyclooxygenase-2 80.47% 89.63%

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 134815171
LOTUS LTS0137590
wikiData Q75067701