10-methoxy-2-methyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-4-one

Details

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Internal ID 0a4e3538-d6c9-476f-9bcb-229637d23ebe
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines
IUPAC Name 10-methoxy-2-methyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H16N2O2/c1-10-7-15-17-13(5-6-19(15)16(20)8-10)12-4-3-11(21-2)9-14(12)18-17/h3-4,7-9,18H,5-6H2,1-2H3
InChI Key LKLLEBHPTWTLGA-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C17H16N2O2
Molecular Weight 280.32 g/mol
Exact Mass 280.121177757 g/mol
Topological Polar Surface Area (TPSA) 45.30 Ų
XlogP 2.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 10-methoxy-2-methyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-4-one

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 98.57% 95.56%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 96.04% 93.40%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.64% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.61% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.54% 91.11%
CHEMBL2581 P07339 Cathepsin D 94.81% 98.95%
CHEMBL3192 Q9BY41 Histone deacetylase 8 92.94% 93.99%
CHEMBL4208 P20618 Proteasome component C5 92.61% 90.00%
CHEMBL2535 P11166 Glucose transporter 91.07% 98.75%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.75% 94.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 90.06% 85.14%
CHEMBL1868 P17948 Vascular endothelial growth factor receptor 1 84.69% 96.47%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 83.03% 91.71%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.84% 95.89%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.70% 99.23%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 82.55% 100.00%
CHEMBL1871 P10275 Androgen Receptor 82.43% 96.43%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 81.83% 96.00%
CHEMBL5979 P05186 Alkaline phosphatase, tissue-nonspecific isozyme 81.77% 85.40%
CHEMBL3714130 P46095 G-protein coupled receptor 6 81.46% 97.36%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 81.03% 95.53%
CHEMBL1907 P15144 Aminopeptidase N 80.99% 93.31%
CHEMBL1781 P11387 DNA topoisomerase I 80.65% 97.00%

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.
Peganum harmala

Cross-Links

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PubChem 14558296
LOTUS LTS0080005
wikiData Q105153113