12-Methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one

Details

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Internal ID 92b51a60-04b5-4ebb-9c02-76b60d352e7f
Taxonomy Alkaloids and derivatives > Indolonaphthyridine alkaloids
IUPAC Name 12-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H12N2O2/c1-19-9-2-4-13-11(8-9)10-6-7-16-12-3-5-14(18)17(13)15(10)12/h2,4,6-8H,3,5H2,1H3
InChI Key STZUJCKEHJWUNP-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H12N2O2
Molecular Weight 252.27 g/mol
Exact Mass 252.089877630 g/mol
Topological Polar Surface Area (TPSA) 44.10 Ų
XlogP 2.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 12-Methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-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 96.57% 96.09%
CHEMBL1951 P21397 Monoamine oxidase A 95.49% 91.49%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.49% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 94.17% 85.14%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.79% 94.00%
CHEMBL1868 P17948 Vascular endothelial growth factor receptor 1 91.72% 96.47%
CHEMBL4208 P20618 Proteasome component C5 91.66% 90.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 91.39% 93.99%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 89.30% 92.67%
CHEMBL2535 P11166 Glucose transporter 89.24% 98.75%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.90% 91.11%
CHEMBL2581 P07339 Cathepsin D 88.15% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.08% 86.33%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.24% 99.15%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 82.77% 100.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 82.40% 92.62%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 82.32% 93.40%
CHEMBL2243 O00519 Anandamide amidohydrolase 81.91% 97.53%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.69% 89.00%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 81.39% 100.00%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 81.16% 96.67%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.53% 96.00%

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.
Eurycoma longifolia

Cross-Links

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PubChem 85633406
LOTUS LTS0184315
wikiData Q105260719