cyclo[Ala-Glu(Ph(2-NH2))-Thr-Pro-Gly-Leu-Asn]
Internal ID | bd259027-6d93-44d3-897c-d9c06deb028e |
Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
IUPAC Name | 2-[(3S,6S,9S,12S,15S,21S)-6-[3-(2-aminophenyl)-3-oxopropyl]-3-[(1R)-1-hydroxyethyl]-9-methyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-12-yl]acetamide |
SMILES (Canonical) | CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CC(C)C)C(C)O)CCC(=O)C3=CC=CC=C3N |
SMILES (Isomeric) | C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)CC(C)C)[C@@H](C)O)CCC(=O)C3=CC=CC=C3N |
InChI | InChI=1S/C35H51N9O10/c1-17(2)14-23-33(52)42-24(15-27(37)47)32(51)39-18(3)30(49)41-22(11-12-26(46)20-8-5-6-9-21(20)36)31(50)43-29(19(4)45)35(54)44-13-7-10-25(44)34(53)38-16-28(48)40-23/h5-6,8-9,17-19,22-25,29,45H,7,10-16,36H2,1-4H3,(H2,37,47)(H,38,53)(H,39,51)(H,40,48)(H,41,49)(H,42,52)(H,43,50)/t18-,19+,22-,23-,24-,25-,29-/m0/s1 |
InChI Key | SBKIOZPHAZNZFI-HWKHYEMRSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C35H51N9O10 |
Molecular Weight | 757.80 g/mol |
Exact Mass | 757.37588886 g/mol |
Topological Polar Surface Area (TPSA) | 301.00 Ų |
XlogP | -1.00 |
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 | 99.57% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.27% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.14% | 85.14% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.06% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.90% | 91.11% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.76% | 83.82% |
CHEMBL228 | P31645 | Serotonin transporter | 94.15% | 95.51% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.27% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.80% | 97.09% |
CHEMBL220 | P22303 | Acetylcholinesterase | 92.53% | 94.45% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 92.10% | 93.00% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.09% | 90.17% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.85% | 95.89% |
CHEMBL4071 | P08311 | Cathepsin G | 90.61% | 94.64% |
CHEMBL2443 | P49862 | Kallikrein 7 | 90.45% | 94.00% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 88.00% | 82.38% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.14% | 86.33% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.13% | 97.14% |
CHEMBL4208 | P20618 | Proteasome component C5 | 86.01% | 90.00% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.27% | 96.47% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.23% | 90.71% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.99% | 93.03% |
CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.09% | 86.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.54% | 99.23% |
CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.30% | 95.00% |
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 | 102476301 |
LOTUS | LTS0040162 |
wikiData | Q105249499 |