N(1)Gly-Asn-Trp-His-Gly-DL-Gly(Ac)-Ala-DL-Pro-Asp(1)-Trp-Phe-Phe-Asn-Tyr-Tyr-Trp-OH
| Internal ID | cfba95d8-395d-4ad6-9501-621b379dbac4 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,12S,15S,18S,25S)-6-acetyl-18-(2-amino-2-oxoethyl)-12-(1H-imidazol-5-ylmethyl)-15-(1H-indol-3-ylmethyl)-3-methyl-2,5,8,11,14,17,20,23,27-nonaoxo-1,4,7,10,13,16,19,22,26-nonazabicyclo[26.3.0]hentriacontane-25-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C103H113N23O23/c1-54-102(147)126-35-15-26-83(126)100(145)123-81(46-86(132)110-51-87(133)114-79(44-84(104)130)97(142)119-77(41-61-48-108-70-24-13-10-21-67(61)70)96(141)121-78(43-63-50-106-53-112-63)90(135)111-52-88(134)125-89(55(2)127)101(146)113-54)99(144)120-76(40-60-47-107-69-23-12-9-20-66(60)69)95(140)117-72(36-56-16-5-3-6-17-56)91(136)115-73(37-57-18-7-4-8-19-57)93(138)122-80(45-85(105)131)98(143)118-74(38-58-27-31-64(128)32-28-58)92(137)116-75(39-59-29-33-65(129)34-30-59)94(139)124-82(103(148)149)42-62-49-109-71-25-14-11-22-68(62)71/h3-14,16-25,27-34,47-50,53-54,72-83,89,107-109,128-129H,15,26,35-46,51-52H2,1-2H3,(H2,104,130)(H2,105,131)(H,106,112)(H,110,132)(H,111,135)(H,113,146)(H,114,133)(H,115,136)(H,116,137)(H,117,140)(H,118,143)(H,119,142)(H,120,144)(H,121,141)(H,122,138)(H,123,145)(H,124,139)(H,125,134)(H,148,149)/t54-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83?,89?/m0/s1 |
| InChI Key | QEHKVSXORDXCMU-SOEAEWQVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C103H113N23O23 |
| Molecular Weight | 2041.10 g/mol |
| Exact Mass | 2040.84132178 g/mol |
| Topological Polar Surface Area (TPSA) | 714.00 Ų |
| XlogP | 1.70 |
| 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 | 99.93% | 98.95% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 99.66% | 97.64% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.46% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.37% | 96.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 99.00% | 90.20% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.98% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.72% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.68% | 85.14% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 98.26% | 88.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 98.01% | 90.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.80% | 95.89% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 95.01% | 91.81% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.73% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.68% | 94.45% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 93.66% | 96.31% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 92.68% | 88.42% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 92.23% | 97.23% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 92.11% | 95.38% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.10% | 98.75% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.94% | 98.59% |
| CHEMBL2093869 | P05106 | Integrin alpha-IIb/beta-3 | 91.46% | 95.42% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.32% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.85% | 99.15% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 90.64% | 90.65% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 90.59% | 98.24% |
| CHEMBL4644 | P41968 | Melanocortin receptor 3 | 89.84% | 99.52% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.19% | 95.50% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 89.18% | 92.29% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 88.58% | 96.25% |
| CHEMBL3837 | P07711 | Cathepsin L | 88.50% | 96.61% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 88.32% | 96.90% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.40% | 93.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.03% | 97.14% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.65% | 82.38% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 86.63% | 83.10% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.39% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.77% | 97.09% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 85.72% | 99.09% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 85.55% | 96.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.49% | 99.17% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 85.20% | 92.97% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 85.19% | 91.43% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 84.39% | 94.66% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 84.32% | 98.33% |
| CHEMBL2821 | P00748 | Coagulation factor XII | 83.66% | 96.21% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.37% | 97.33% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 83.20% | 96.39% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 82.93% | 97.43% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.78% | 93.03% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 82.61% | 100.00% |
| CHEMBL1921 | P47901 | Vasopressin V1b receptor | 82.43% | 92.50% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 81.52% | 92.12% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.48% | 99.18% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.44% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.23% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.15% | 86.33% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 81.02% | 85.83% |
| CHEMBL1795185 | Q58F21 | Bromodomain testis-specific protein | 80.42% | 89.76% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 80.31% | 96.67% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.08% | 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.
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| There are no matching plants. |
| PubChem | 139586488 |
| LOTUS | LTS0061379 |
| wikiData | Q105219215 |