(7R)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione

Details

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Internal ID aa5d3e89-39cc-447b-b8af-4c96807484f6
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones
IUPAC Name (7R)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione
SMILES (Canonical) COC1=CC(=CC(=C1O)OC)C2C3CCCN3C(=O)C4=C2C(=O)NC5=CC=CC=C54
SMILES (Isomeric) COC1=CC(=CC(=C1O)OC)[C@H]2C3CCCN3C(=O)C4=C2C(=O)NC5=CC=CC=C54
InChI InChI=1S/C23H22N2O5/c1-29-16-10-12(11-17(30-2)21(16)26)18-15-8-5-9-25(15)23(28)19-13-6-3-4-7-14(13)24-22(27)20(18)19/h3-4,6-7,10-11,15,18,26H,5,8-9H2,1-2H3,(H,24,27)/t15?,18-/m0/s1
InChI Key IWGANRXBUPWVLV-PKHIMPSTSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C23H22N2O5
Molecular Weight 406.40 g/mol
Exact Mass 406.15287181 g/mol
Topological Polar Surface Area (TPSA) 88.10 Ų
XlogP 2.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (7R)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione

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 99.30% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 98.99% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.61% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.16% 96.09%
CHEMBL2581 P07339 Cathepsin D 95.68% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.17% 94.45%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.86% 89.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 93.59% 93.99%
CHEMBL241 Q14432 Phosphodiesterase 3A 92.76% 92.94%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 92.64% 99.23%
CHEMBL5608 Q16288 NT-3 growth factor receptor 92.30% 95.89%
CHEMBL213 P08588 Beta-1 adrenergic receptor 92.29% 95.56%
CHEMBL2535 P11166 Glucose transporter 91.94% 98.75%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.54% 97.09%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 87.76% 93.03%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 87.58% 92.62%
CHEMBL5203 P33316 dUTP pyrophosphatase 86.23% 99.18%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.92% 94.00%
CHEMBL3524 P56524 Histone deacetylase 4 85.79% 92.97%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 83.03% 89.62%
CHEMBL4208 P20618 Proteasome component C5 82.15% 90.00%
CHEMBL1902 P62942 FK506-binding protein 1A 81.50% 97.05%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.32% 86.33%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 80.51% 92.67%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 80.07% 96.21%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Isatis tinctoria

Cross-Links

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PubChem 102328974
LOTUS LTS0083628
wikiData Q105121599