15-hydroxy-2',16,16-trimethylspiro[14-oxa-2,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7-tetraene-13,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',9,17-trione

Details

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Internal ID 456665f0-6fa4-4ba1-8ef6-82869207dc50
Taxonomy Organoheterocyclic compounds > Pyridopyrimidines
IUPAC Name 15-hydroxy-2',16,16-trimethylspiro[14-oxa-2,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7-tetraene-13,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',9,17-trione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C26H24N4O5/c1-13-21(32)29-17-11-7-5-9-15(17)25(23(29)27-13)12-18-26(34,35-25)24(2,3)19(31)20-28-16-10-6-4-8-14(16)22(33)30(18)20/h4-11,13,18,23,27,34H,12H2,1-3H3
InChI Key IENYPMZDZJBNMW-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C26H24N4O5
Molecular Weight 472.50 g/mol
Exact Mass 472.17466988 g/mol
Topological Polar Surface Area (TPSA) 112.00 Ų
XlogP 1.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 15-hydroxy-2',16,16-trimethylspiro[14-oxa-2,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7-tetraene-13,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',9,17-trione

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 99.41% 85.14%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 97.29% 99.23%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.82% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.05% 96.09%
CHEMBL2581 P07339 Cathepsin D 94.40% 98.95%
CHEMBL1937 Q92769 Histone deacetylase 2 94.26% 94.75%
CHEMBL5805 Q9NR97 Toll-like receptor 8 92.72% 96.25%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.66% 86.33%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.55% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.27% 94.00%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 87.02% 94.62%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.64% 89.00%
CHEMBL4208 P20618 Proteasome component C5 85.52% 90.00%
CHEMBL2140 P48775 Tryptophan 2,3-dioxygenase 84.44% 98.46%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 84.28% 92.67%
CHEMBL2095226 P05556 Integrin alpha-5/beta-1 83.80% 96.39%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 82.37% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.00% 97.09%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 81.99% 85.11%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 162814946
LOTUS LTS0103486
wikiData Q104168713