4,5,15-Trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17),14-octaen-16-one

Details

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Internal ID 69841585-bde7-4d22-9ca3-e827ae87d627
Taxonomy Alkaloids and derivatives > Aporphines
IUPAC Name 4,5,15-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17),14-octaen-16-one
SMILES (Canonical) COC1=CC2=C3C(=NC=C2)C=C4C=C(C(=CC4=C3C1=O)OC)OC
SMILES (Isomeric) COC1=CC2=C3C(=NC=C2)C=C4C=C(C(=CC4=C3C1=O)OC)OC
InChI InChI=1S/C19H15NO4/c1-22-14-8-11-6-13-17-10(4-5-20-13)7-16(24-3)19(21)18(17)12(11)9-15(14)23-2/h4-9H,1-3H3
InChI Key XHCICOLGLYLOAA-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C19H15NO4
Molecular Weight 321.30 g/mol
Exact Mass 321.10010796 g/mol
Topological Polar Surface Area (TPSA) 57.60 Ų
XlogP 3.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4,5,15-Trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17),14-octaen-16-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
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 96.99% 85.14%
CHEMBL2535 P11166 Glucose transporter 95.07% 98.75%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 94.19% 94.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.56% 91.11%
CHEMBL5925 P22413 Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 91.96% 92.38%
CHEMBL1951 P21397 Monoamine oxidase A 91.91% 91.49%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 90.41% 96.00%
CHEMBL5014 O43353 Serine/threonine-protein kinase RIPK2 88.87% 86.79%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 88.78% 96.67%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.73% 86.33%
CHEMBL235 P37231 Peroxisome proliferator-activated receptor gamma 88.03% 95.39%
CHEMBL3524 P56524 Histone deacetylase 4 87.88% 92.97%
CHEMBL1868 P17948 Vascular endothelial growth factor receptor 1 87.03% 96.47%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.23% 95.56%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 84.18% 94.03%
CHEMBL2581 P07339 Cathepsin D 83.89% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.67% 89.00%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 83.39% 96.90%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.65% 92.94%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 82.41% 94.42%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.25% 96.09%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 82.06% 100.00%
CHEMBL1255126 O15151 Protein Mdm4 82.02% 90.20%
CHEMBL290 Q13370 Phosphodiesterase 3B 81.75% 94.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.16% 90.71%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 81.04% 96.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.96% 99.23%
CHEMBL5747 Q92793 CREB-binding protein 80.93% 95.12%
CHEMBL3401 O75469 Pregnane X receptor 80.09% 94.73%

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.
Corydalis paniculigera
Corydalis stricta

Cross-Links

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PubChem 21609480
LOTUS LTS0139987
wikiData Q105328014