Callipeltin A
| Internal ID | 81e354e2-51e8-49d5-8fd2-b3180b343c89 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (2R,3S,4S)-N'-[(3S,6R,9S,12S,15R,18S,21S,22R)-9-(3-amino-3-oxopropyl)-15-[3-(diaminomethylideneamino)propyl]-18-[(1R)-1-hydroxyethyl]-6-[(R)-(4-hydroxyphenyl)-methoxymethyl]-3,4,10,22-tetramethyl-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-4-[[(2R,3R,4S)-7-(diaminomethylideneamino)-2,3-dihydroxy-4-[[(2R)-2-[[(2R,3R,4R)-3-hydroxy-2,4,6-trimethylheptanoyl]amino]propanoyl]amino]heptanoyl]amino]-2,3-dimethylpentanediamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C68H116N18O20/c1-30(2)28-32(5)51(90)35(8)56(94)77-36(9)57(95)78-42(18-16-26-75-67(71)72)52(91)53(92)63(101)81-47(33(6)34(7)55(70)93)60(98)83-49-39(12)106-66(104)37(10)85(13)65(103)50(54(105-15)40-20-22-41(88)23-21-40)84-59(97)45(24-25-46(69)89)86(14)64(102)44(29-31(3)4)80-58(96)43(19-17-27-76-68(73)74)79-61(99)48(38(11)87)82-62(49)100/h20-23,30-39,42-45,47-54,87-88,90-92H,16-19,24-29H2,1-15H3,(H2,69,89)(H2,70,93)(H,77,94)(H,78,95)(H,79,99)(H,80,96)(H,81,101)(H,82,100)(H,83,98)(H,84,97)(H4,71,72,75)(H4,73,74,76)/t32-,33+,34-,35-,36-,37+,38-,39-,42+,43-,44+,45+,47+,48+,49+,50-,51-,52-,53-,54-/m1/s1 |
| InChI Key | UDTRUOCOOZKCCT-QVVVRIHHSA-N |
| Popularity | 16 references in papers |
| Molecular Formula | C68H116N18O20 |
| Molecular Weight | 1505.80 g/mol |
| Exact Mass | 1504.86132816 g/mol |
| Topological Polar Surface Area (TPSA) | 625.00 Ų |
| XlogP | -2.90 |
| CHEBI:65556 |
| Q27134009 |
| 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 | 99.57% | 96.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.12% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.54% | 91.11% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 97.53% | 98.59% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.45% | 99.17% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 95.56% | 98.05% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 94.67% | 97.31% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 94.43% | 90.93% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.44% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.23% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.76% | 95.56% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 90.86% | 89.67% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.55% | 93.56% |
| CHEMBL4072 | P07858 | Cathepsin B | 90.43% | 93.67% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.12% | 100.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 89.20% | 85.00% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 88.54% | 88.42% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.37% | 96.47% |
| CHEMBL1949 | P62937 | Cyclophilin A | 87.78% | 98.57% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.76% | 96.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.71% | 96.90% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 87.63% | 96.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.93% | 85.14% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 86.60% | 95.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 86.30% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.53% | 89.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.91% | 94.45% |
| CHEMBL236 | P41143 | Delta opioid receptor | 83.48% | 99.35% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.83% | 99.23% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 82.65% | 96.67% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.57% | 83.82% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.50% | 89.62% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.48% | 100.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.09% | 93.10% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.98% | 94.66% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.87% | 89.00% |
| CHEMBL4578 | Q14680 | Maternal embryonic leucine zipper kinase | 81.35% | 81.58% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.33% | 95.89% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.72% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.55% | 90.08% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 80.45% | 94.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.44% | 91.19% |
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 | 70678682 |
| LOTUS | LTS0241584 |
| wikiData | Q27134009 |