2,12-Dimethoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one

Details

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Internal ID 29486a68-3852-4dcf-8624-1ca0d280615b
Taxonomy Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes
IUPAC Name 2,12-dimethoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one
SMILES (Canonical) COC1CC23C(=CC(=O)N2CCC4=C3C=C(C=C4)OC)C=C1
SMILES (Isomeric) COC1CC23C(=CC(=O)N2CCC4=C3C=C(C=C4)OC)C=C1
InChI InChI=1S/C18H19NO3/c1-21-14-5-3-12-7-8-19-17(20)9-13-4-6-15(22-2)11-18(13,19)16(12)10-14/h3-6,9-10,15H,7-8,11H2,1-2H3
InChI Key KVQRHUYOAYOFQD-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H19NO3
Molecular Weight 297.30 g/mol
Exact Mass 297.13649347 g/mol
Topological Polar Surface Area (TPSA) 38.80 Ų
XlogP 1.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2,12-Dimethoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.11% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.42% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.94% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.95% 94.00%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 91.04% 93.40%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 90.94% 85.14%
CHEMBL3192 Q9BY41 Histone deacetylase 8 90.21% 93.99%
CHEMBL4208 P20618 Proteasome component C5 89.84% 90.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 87.68% 92.94%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 87.57% 95.53%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.97% 86.33%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.40% 97.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.62% 95.89%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 85.17% 91.07%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 84.07% 96.77%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 83.36% 91.03%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 83.29% 100.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 81.41% 92.62%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 80.98% 97.14%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 80.86% 95.89%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.27% 94.45%

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.
Cocculus laurifolius

Cross-Links

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PubChem 132539037
LOTUS LTS0113453
wikiData Q105146668