N-(1-hydroxydodecan-2-yl)-2-[2-[[2-[[3-hydroxy-2-[[3-hydroxy-2-(5-hydroxy-7-methoxy-6-methyl-3-oxo-1H-isoindol-2-yl)propanoyl]amino]butanoyl]amino]-3-methylpentanoyl]amino]octanoylamino]butanediamide
| Internal ID | d919ca45-3b7d-4392-b19e-f4b137c6811c |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | N-(1-hydroxydodecan-2-yl)-2-[2-[[2-[[3-hydroxy-2-[[3-hydroxy-2-(5-hydroxy-7-methoxy-6-methyl-3-oxo-1H-isoindol-2-yl)propanoyl]amino]butanoyl]amino]-3-methylpentanoyl]amino]octanoylamino]butanediamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C47H79N7O12/c1-8-11-13-15-16-17-18-19-21-31(26-55)49-43(61)35(24-38(48)59)51-42(60)34(22-20-14-12-9-2)50-45(63)39(28(4)10-3)52-46(64)40(30(6)57)53-44(62)36(27-56)54-25-33-32(47(54)65)23-37(58)29(5)41(33)66-7/h23,28,30-31,34-36,39-40,55-58H,8-22,24-27H2,1-7H3,(H2,48,59)(H,49,61)(H,50,63)(H,51,60)(H,52,64)(H,53,62) |
| InChI Key | XPHWGDOKBVDYOP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C47H79N7O12 |
| Molecular Weight | 934.20 g/mol |
| Exact Mass | 933.57867098 g/mol |
| Topological Polar Surface Area (TPSA) | 299.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of N-(1-hydroxydodecan-2-yl)-2-[2-[[2-[[3-hydroxy-2-[[3-hydroxy-2-(5-hydroxy-7-methoxy-6-methyl-3-oxo-1H-isoindol-2-yl)propanoyl]amino]butanoyl]amino]-3-methylpentanoyl]amino]octanoylamino]butanediamide](https://plantaedb.com/storage/docs/compounds/2023/11/d96d24d0-8520-11ee-bc8a-192c89106751.jpg "2D Structure of N-(1-hydroxydodecan-2-yl)-2-[2-[[2-[[3-hydroxy-2-[[3-hydroxy-2-(5-hydroxy-7-methoxy-6-methyl-3-oxo-1H-isoindol-2-yl)propanoyl]amino]butanoyl]amino]-3-methylpentanoyl]amino]octanoylamino]butanediamide")
| 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 | 99.69% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.59% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.34% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.16% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.85% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 96.16% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 95.28% | 97.21% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 93.17% | 91.81% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.84% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.25% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.89% | 91.19% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.71% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.31% | 98.75% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.23% | 100.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 88.02% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.98% | 94.45% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 87.77% | 98.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.48% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.32% | 97.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.81% | 96.00% |
| CHEMBL3776 | Q14790 | Caspase-8 | 86.15% | 97.06% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.25% | 93.18% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.74% | 90.71% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.03% | 82.38% |
| CHEMBL5979 | P05186 | Alkaline phosphatase, tissue-nonspecific isozyme | 83.28% | 85.40% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.16% | 93.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.83% | 97.29% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.75% | 89.00% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 82.26% | 96.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.51% | 86.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.07% | 92.08% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.39% | 83.82% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.18% | 94.66% |
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 | 162814693 |
| LOTUS | LTS0218021 |
| wikiData | Q104201212 |