15-[3-(Diaminomethylideneamino)propyl]-18-(6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl)-1,5,8,12,19-pentamethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
| Internal ID | 296739f2-65be-44d6-8396-5c755f494540 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 15-[3-(diaminomethylideneamino)propyl]-18-(6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl)-1,5,8,12,19-pentamethyl-2-methylidene-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/C46H68N10O12/c1-24(22-25(2)35(68-9)23-31-14-11-10-12-15-31)17-18-32-26(3)38(58)54-34(44(64)65)19-20-36(57)56(8)30(7)42(62)51-28(5)40(60)50-29(6)41(61)55-37(45(66)67)27(4)39(59)53-33(43(63)52-32)16-13-21-49-46(47)48/h10-12,14-15,17-18,22,25-29,32-35,37H,7,13,16,19-21,23H2,1-6,8-9H3,(H,50,60)(H,51,62)(H,52,63)(H,53,59)(H,54,58)(H,55,61)(H,64,65)(H,66,67)(H4,47,48,49) |
| InChI Key | PIBNCDNEMSHYQS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C46H68N10O12 |
| Molecular Weight | 953.10 g/mol |
| Exact Mass | 952.50181764 g/mol |
| Topological Polar Surface Area (TPSA) | 343.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of 15-[3-(Diaminomethylideneamino)propyl]-18-(6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl)-1,5,8,12,19-pentamethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/351eb8f0-87e9-11ee-977b-27c0163c9e88.jpg "2D Structure of 15-[3-(Diaminomethylideneamino)propyl]-18-(6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl)-1,5,8,12,19-pentamethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.96% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.69% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.52% | 96.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 96.88% | 93.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.17% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.70% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.29% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.24% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.98% | 99.17% |
| CHEMBL3837 | P07711 | Cathepsin L | 92.38% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.98% | 95.89% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 90.73% | 97.64% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.92% | 91.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.52% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.45% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.60% | 97.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.61% | 90.20% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.01% | 93.00% |
| CHEMBL4644 | P41968 | Melanocortin receptor 3 | 83.84% | 99.52% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.09% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.16% | 96.47% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.14% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.82% | 98.75% |
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 | 74030067 |
| LOTUS | LTS0062148 |
| wikiData | Q104194801 |