6-hydroxy-N-[5-[(6-hydroxy-3-methylhepta-2,4-dienoyl)amino]-2,2,4,4-tetramethyl-3-oxopentyl]-3-methylhepta-2,4-dienamide
| Internal ID | c1d63b79-b9a0-40ad-8883-7bd348c94610 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols |
| IUPAC Name | 6-hydroxy-N-[5-[(6-hydroxy-3-methylhepta-2,4-dienoyl)amino]-2,2,4,4-tetramethyl-3-oxopentyl]-3-methylhepta-2,4-dienamide |
| SMILES (Canonical) | CC(C=CC(=CC(=O)NCC(C)(C)C(=O)C(C)(C)CNC(=O)C=C(C)C=CC(C)O)C)O |
| SMILES (Isomeric) | CC(C=CC(=CC(=O)NCC(C)(C)C(=O)C(C)(C)CNC(=O)C=C(C)C=CC(C)O)C)O |
| InChI | InChI=1S/C25H40N2O5/c1-17(9-11-19(3)28)13-21(30)26-15-24(5,6)23(32)25(7,8)16-27-22(31)14-18(2)10-12-20(4)29/h9-14,19-20,28-29H,15-16H2,1-8H3,(H,26,30)(H,27,31) |
| InChI Key | QWDUIMTWTQIEFM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H40N2O5 |
| Molecular Weight | 448.60 g/mol |
| Exact Mass | 448.29372238 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 6-hydroxy-N-[5-[(6-hydroxy-3-methylhepta-2,4-dienoyl)amino]-2,2,4,4-tetramethyl-3-oxopentyl]-3-methylhepta-2,4-dienamide](https://plantaedb.com/storage/docs/compounds/2023/11/52f77870-8642-11ee-a1fd-253e694a145a.jpg "2D Structure of 6-hydroxy-N-[5-[(6-hydroxy-3-methylhepta-2,4-dienoyl)amino]-2,2,4,4-tetramethyl-3-oxopentyl]-3-methylhepta-2,4-dienamide")
| 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 | 95.59% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 95.35% | 89.34% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.27% | 97.29% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 90.03% | 95.71% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.44% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.08% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.68% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.38% | 97.21% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.62% | 96.47% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.58% | 85.14% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 83.47% | 92.29% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.55% | 98.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.30% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.24% | 94.73% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.77% | 94.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.73% | 99.17% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.19% | 80.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.63% | 91.07% |
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.
To see more specific details click the taxa you are interested in.
| Piper swartzianum |
| PubChem | 78385308 |
| LOTUS | LTS0036635 |
| wikiData | Q104196274 |