cyclo[Gly-Gly-Pro-Phe-Pro-Gly-Tyr]

Details

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Internal ID 62210b76-389f-4f0a-b93a-8ff7448e1759
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides
IUPAC Name (3S,6S,18S,24S)-3-benzyl-18-[(4-hydroxyphenyl)methyl]-1,4,10,13,16,19,22-heptazatricyclo[22.3.0.06,10]heptacosane-2,5,11,14,17,20,23-heptone
SMILES (Canonical) C1CC2C(=O)NC(C(=O)N3CCCC3C(=O)NCC(=O)NC(C(=O)NCC(=O)NCC(=O)N2C1)CC4=CC=C(C=C4)O)CC5=CC=CC=C5
SMILES (Isomeric) C1C[C@H]2C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N2C1)CC4=CC=C(C=C4)O)CC5=CC=CC=C5
InChI InChI=1S/C34H41N7O8/c42-23-12-10-22(11-13-23)16-24-31(46)36-18-28(43)35-20-30(45)40-14-4-9-27(40)33(48)39-25(17-21-6-2-1-3-7-21)34(49)41-15-5-8-26(41)32(47)37-19-29(44)38-24/h1-3,6-7,10-13,24-27,42H,4-5,8-9,14-20H2,(H,35,43)(H,36,46)(H,37,47)(H,38,44)(H,39,48)/t24-,25-,26-,27-/m0/s1
InChI Key LKSLULKDJJRELU-FWEHEUNISA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C34H41N7O8
Molecular Weight 675.70 g/mol
Exact Mass 675.30166129 g/mol
Topological Polar Surface Area (TPSA) 206.00 Ų
XlogP 0.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of cyclo[Gly-Gly-Pro-Phe-Pro-Gly-Tyr]

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 99.29% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.86% 96.09%
CHEMBL2693 Q9UIQ6 Cystinyl aminopeptidase 94.76% 97.64%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.46% 91.11%
CHEMBL3524 P56524 Histone deacetylase 4 94.02% 92.97%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 93.43% 85.14%
CHEMBL1902 P62942 FK506-binding protein 1A 93.34% 97.05%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 92.85% 90.93%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.66% 95.56%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 91.63% 82.38%
CHEMBL5608 Q16288 NT-3 growth factor receptor 91.52% 95.89%
CHEMBL5103 Q969S8 Histone deacetylase 10 91.29% 90.08%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 89.76% 93.00%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 88.70% 92.67%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.37% 94.45%
CHEMBL3202 P48147 Prolyl endopeptidase 87.54% 90.65%
CHEMBL217 P14416 Dopamine D2 receptor 86.19% 95.62%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 85.95% 91.71%
CHEMBL4447 Q9Y337 Kallikrein 5 84.68% 87.50%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.88% 97.09%
CHEMBL2095226 P05556 Integrin alpha-5/beta-1 82.72% 96.39%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.61% 86.33%

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.
Stellaria yunnanensis

Cross-Links

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PubChem 10055293
LOTUS LTS0174595
wikiData Q105153259