(D-Asp3)MC-LF
| Internal ID | e9959902-4f6f-4ab1-b6f7-393a6de9d552 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | (5R,8S,11R,15S,18S,19S,22R)-15-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C51H69N7O12/c1-29(2)24-39-48(64)57-41(51(68)69)28-43(59)53-40(26-35-16-12-10-13-17-35)49(65)54-37(21-20-30(3)25-31(4)42(70-9)27-36-18-14-11-15-19-36)32(5)45(61)55-38(50(66)67)22-23-44(60)58(8)34(7)47(63)52-33(6)46(62)56-39/h10-21,25,29,31-33,37-42H,7,22-24,26-28H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,65)(H,55,61)(H,56,62)(H,57,64)(H,66,67)(H,68,69)/b21-20+,30-25+/t31-,32-,33+,37-,38+,39-,40-,41+,42-/m0/s1 |
| InChI Key | BWSABZLQEYMURK-BMUDUOPCSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C51H69N7O12 |
| Molecular Weight | 972.10 g/mol |
| Exact Mass | 971.50042066 g/mol |
| Topological Polar Surface Area (TPSA) | 279.00 Ų |
| XlogP | 4.50 |
| DTXSID801046796 |
| 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 | 99.92% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.92% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.64% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.68% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.01% | 97.64% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 94.62% | 91.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.88% | 86.33% |
| CHEMBL4072 | P07858 | Cathepsin B | 93.84% | 93.67% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.16% | 90.08% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.95% | 85.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.69% | 95.89% |
| CHEMBL3837 | P07711 | Cathepsin L | 90.31% | 96.61% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.43% | 94.75% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 89.30% | 97.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.57% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.98% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.63% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.45% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.55% | 95.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.76% | 93.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.94% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.52% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.47% | 91.11% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.14% | 90.93% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.13% | 89.67% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.91% | 90.20% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.57% | 88.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.18% | 93.99% |
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 | 155801670 |
| LOTUS | LTS0122646 |
| wikiData | Q104246615 |