15-Ethylidene-10-hydroxy-17-methyl-11-oxa-8,17-diazapentacyclo[12.5.2.11,8.02,7.013,22]docosa-2,4,6-triene-9,20-dione

Details

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Internal ID 81b2496b-2da1-4de6-a6a9-99fba9379131
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
IUPAC Name 15-ethylidene-10-hydroxy-17-methyl-11-oxa-8,17-diazapentacyclo[12.5.2.11,8.02,7.013,22]docosa-2,4,6-triene-9,20-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C22H26N2O4/c1-3-13-11-23(2)9-8-22-16-6-4-5-7-17(16)24-19(22)15(14(13)10-18(22)25)12-28-21(27)20(24)26/h3-7,14-15,19,21,27H,8-12H2,1-2H3
InChI Key BLJOXWGKDCMTMU-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C22H26N2O4
Molecular Weight 382.50 g/mol
Exact Mass 382.18925731 g/mol
Topological Polar Surface Area (TPSA) 70.10 Ų
XlogP 0.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 15-Ethylidene-10-hydroxy-17-methyl-11-oxa-8,17-diazapentacyclo[12.5.2.11,8.02,7.013,22]docosa-2,4,6-triene-9,20-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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.66% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.53% 95.56%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 93.95% 90.71%
CHEMBL2581 P07339 Cathepsin D 93.10% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 91.44% 99.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.64% 86.33%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 86.80% 93.65%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 86.55% 100.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.89% 94.00%
CHEMBL2095226 P05556 Integrin alpha-5/beta-1 82.60% 96.39%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 81.88% 93.03%
CHEMBL4208 P20618 Proteasome component C5 81.70% 90.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.97% 91.11%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.78% 100.00%

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.
Strychnos henningsii

Cross-Links

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PubChem 321984
LOTUS LTS0122682
wikiData Q104938046