cyclo[Ala-Asn-Pro-Gly-aIle-Pro-Tyr]
Internal ID | 0716718a-c05d-42c3-ba28-835d2a2788d6 |
Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
IUPAC Name | 2-[(3S,9S,15S,18S,21S,24S)-3-[(2R)-butan-2-yl]-21-[(4-hydroxyphenyl)methyl]-18-methyl-2,5,8,14,17,20,23-heptaoxo-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-15-yl]acetamide |
SMILES (Canonical) | CCC(C)C1C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)NCC(=O)N1)CC(=O)N)C)CC4=CC=C(C=C4)O |
SMILES (Isomeric) | CC[C@@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)NCC(=O)N1)CC(=O)N)C)CC4=CC=C(C=C4)O |
InChI | InChI=1S/C34H48N8O9/c1-4-18(2)28-34(51)42-14-6-8-25(42)32(49)38-22(15-20-9-11-21(43)12-10-20)30(47)37-19(3)29(46)39-23(16-26(35)44)33(50)41-13-5-7-24(41)31(48)36-17-27(45)40-28/h9-12,18-19,22-25,28,43H,4-8,13-17H2,1-3H3,(H2,35,44)(H,36,48)(H,37,47)(H,38,49)(H,39,46)(H,40,45)/t18-,19+,22+,23+,24+,25+,28+/m1/s1 |
InChI Key | IOGMUHFJDZGHHS-QILIHBEUSA-N |
Popularity | 0 references in papers |
Molecular Formula | C34H48N8O9 |
Molecular Weight | 712.80 g/mol |
Exact Mass | 712.35442514 g/mol |
Topological Polar Surface Area (TPSA) | 249.00 Ų |
XlogP | -0.50 |
There are no found synonyms. |
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
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 | 99.64% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.21% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.51% | 94.45% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.78% | 97.25% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.53% | 95.89% |
CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 95.01% | 90.08% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.88% | 91.11% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 93.56% | 82.38% |
CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 91.92% | 96.69% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.64% | 93.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.21% | 97.09% |
CHEMBL4461 | Q9NTG7 | NAD-dependent deacetylase sirtuin 3 | 91.13% | 94.36% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.48% | 90.71% |
CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 90.00% | 99.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.87% | 95.56% |
CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 88.69% | 83.10% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.54% | 85.14% |
CHEMBL4071 | P08311 | Cathepsin G | 88.03% | 94.64% |
CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 87.83% | 90.93% |
CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 87.68% | 97.64% |
CHEMBL4208 | P20618 | Proteasome component C5 | 87.63% | 90.00% |
CHEMBL4616 | Q92847 | Ghrelin receptor | 87.58% | 92.00% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.67% | 100.00% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.53% | 97.05% |
CHEMBL2443 | P49862 | Kallikrein 7 | 85.24% | 94.00% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.98% | 91.71% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.25% | 86.33% |
CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.36% | 92.97% |
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.
To see more specific details click the taxa you are interested in.
Annona montana |
PubChem | 163104452 |
LOTUS | LTS0232777 |
wikiData | Q105116640 |