Psychrophilin B

Details

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Internal ID ff1f1874-5652-447a-bac0-356333532970
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides
IUPAC Name (11S,14S)-14-nitro-11-propan-2-yl-1,9,12-triazatetracyclo[14.6.1.03,8.017,22]tricosa-3,5,7,16(23),17,19,21-heptaene-2,10,13-trione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H22N4O5/c1-13(2)20-22(29)24-17-9-5-3-8-16(17)23(30)26-12-14(15-7-4-6-10-18(15)26)11-19(27(31)32)21(28)25-20/h3-10,12-13,19-20H,11H2,1-2H3,(H,24,29)(H,25,28)/t19-,20-/m0/s1
InChI Key CHXSSXCFGPZMCJ-PMACEKPBSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C23H22N4O5
Molecular Weight 434.40 g/mol
Exact Mass 434.15901982 g/mol
Topological Polar Surface Area (TPSA) 126.00 Ų
XlogP 3.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Psychrophilin B

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
CHEMBL2581 P07339 Cathepsin D 98.80% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 98.16% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.28% 96.09%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 97.17% 82.69%
CHEMBL253 P34972 Cannabinoid CB2 receptor 96.26% 97.25%
CHEMBL202 P00374 Dihydrofolate reductase 93.87% 89.92%
CHEMBL5103 Q969S8 Histone deacetylase 10 92.89% 90.08%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.76% 91.11%
CHEMBL3524 P56524 Histone deacetylase 4 92.31% 92.97%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.58% 85.14%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 91.24% 99.23%
CHEMBL1937 Q92769 Histone deacetylase 2 89.73% 94.75%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 89.67% 95.83%
CHEMBL333 P08253 Matrix metalloproteinase-2 89.53% 96.31%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.88% 89.00%
CHEMBL1899 P46098 Serotonin 3a (5-HT3a) receptor 88.09% 100.00%
CHEMBL5805 Q9NR97 Toll-like receptor 8 87.07% 96.25%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 86.86% 93.03%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.57% 97.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.32% 86.33%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 83.83% 96.47%
CHEMBL2535 P11166 Glucose transporter 82.88% 98.75%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 82.85% 93.40%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.20% 97.14%
CHEMBL2996 Q05655 Protein kinase C delta 80.93% 97.79%

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 11316460
LOTUS LTS0198910
wikiData Q105212115