Raistrickindole A

Details

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Internal ID 524bb2d4-7fc4-4faa-870d-7c8aef3d9399
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives
IUPAC Name (1R,5S,8S,10S)-5-benzyl-10-hydroxy-2-oxa-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-11,13,15-triene-4,7-dione
SMILES (Canonical) C1C2C(=O)NC(C(=O)N2OC3C1(C4=CC=CC=C4N3)O)CC5=CC=CC=C5
SMILES (Isomeric) C1[C@H]2C(=O)N[C@H](C(=O)N2O[C@@H]3[C@]1(C4=CC=CC=C4N3)O)CC5=CC=CC=C5
InChI InChI=1S/C20H19N3O4/c24-17-16-11-20(26)13-8-4-5-9-14(13)22-19(20)27-23(16)18(25)15(21-17)10-12-6-2-1-3-7-12/h1-9,15-16,19,22,26H,10-11H2,(H,21,24)/t15-,16-,19+,20-/m0/s1
InChI Key FDOLIMSWIVRVGO-FEHORTKBSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C20H19N3O4
Molecular Weight 365.40 g/mol
Exact Mass 365.13755610 g/mol
Topological Polar Surface Area (TPSA) 90.90 Ų
XlogP 1.70

Synonyms

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CHEMBL4444980

2D Structure

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2D Structure of Raistrickindole A

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 96.32% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.97% 91.11%
CHEMBL2581 P07339 Cathepsin D 95.06% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.74% 96.09%
CHEMBL2693 Q9UIQ6 Cystinyl aminopeptidase 92.82% 97.64%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.29% 95.56%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 88.85% 94.62%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 87.04% 93.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.71% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.70% 94.45%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.46% 97.09%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 81.42% 82.69%

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 145720909
LOTUS LTS0180156
wikiData Q104993683