CID 10505522
| Internal ID | cb0d9ef7-b9f4-46f4-a524-ac19e2cb1a9b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Leucine and derivatives |
| IUPAC Name | 2-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-4-methylpentanoic acid |
| SMILES (Canonical) | CC(C)CC(C(=O)O)N1CC2=C3C(=C(C=C2C1=O)O)CC(C(O3)(C)CCC=C(C)CCC=C(C)C)O |
| SMILES (Isomeric) | CC(C)CC(C(=O)O)N1CC2=C3C(=C(C=C2C1=O)O)CC(C(O3)(C)CC/C=C(\C)/CCC=C(C)C)O |
| InChI | InChI=1S/C29H41NO6/c1-17(2)9-7-10-19(5)11-8-12-29(6)25(32)15-21-24(31)14-20-22(26(21)36-29)16-30(27(20)33)23(28(34)35)13-18(3)4/h9,11,14,18,23,25,31-32H,7-8,10,12-13,15-16H2,1-6H3,(H,34,35)/b19-11+ |
| InChI Key | SFWATHVUVKCXSG-YBFXNURJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H41NO6 |
| Molecular Weight | 499.60 g/mol |
| Exact Mass | 499.29338803 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 5.70 |
| 2-[2-[(3E)-4,8-Dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-4-methylpentanoic 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.49% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.37% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.69% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.07% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.58% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.89% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.02% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.29% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.33% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.16% | 93.40% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.09% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.96% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.93% | 95.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.71% | 93.31% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.23% | 99.23% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.95% | 85.11% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 83.71% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.60% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.41% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.18% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.72% | 99.15% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.26% | 83.82% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.68% | 89.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.62% | 97.25% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.36% | 90.24% |
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 | 10505522 |
| LOTUS | LTS0021181 |
| wikiData | Q77381816 |