[(2S,5S,6R,7S,8Z,10Z,12E)-7-hydroxy-6-methyl-2-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]tetradeca-8,10,12-trien-5-yl] dihydrogen phosphate
| Internal ID | 972febdf-4288-45b0-ab96-2ee77eeca8d0 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones |
| IUPAC Name | [(2S,5S,6R,7S,8Z,10Z,12E)-7-hydroxy-6-methyl-2-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]tetradeca-8,10,12-trien-5-yl] dihydrogen phosphate |
| SMILES (Canonical) | CC=CC=CC=CC(C(C)C(CCC(C)C1C(C=CC(=O)O1)C)OP(=O)(O)O)O |
| SMILES (Isomeric) | C/C=C/C=C\C=C/[C@@H]([C@@H](C)[C@H](CC[C@H](C)[C@H]1[C@H](C=CC(=O)O1)C)OP(=O)(O)O)O |
| InChI | InChI=1S/C21H33O7P/c1-5-6-7-8-9-10-18(22)17(4)19(28-29(24,25)26)13-11-15(2)21-16(3)12-14-20(23)27-21/h5-10,12,14-19,21-22H,11,13H2,1-4H3,(H2,24,25,26)/b6-5+,8-7-,10-9-/t15-,16-,17+,18-,19-,21-/m0/s1 |
| InChI Key | PQNNIEWMPIULRS-YVQFTJOPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H33O7P |
| Molecular Weight | 428.50 g/mol |
| Exact Mass | 428.19639039 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of [(2S,5S,6R,7S,8Z,10Z,12E)-7-hydroxy-6-methyl-2-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]tetradeca-8,10,12-trien-5-yl] dihydrogen phosphate](https://plantaedb.com/storage/docs/compounds/2023/11/4b869e20-855a-11ee-8461-6f497bc03355.jpg "2D Structure of [(2S,5S,6R,7S,8Z,10Z,12E)-7-hydroxy-6-methyl-2-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]tetradeca-8,10,12-trien-5-yl] dihydrogen phosphate")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.02% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.84% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.76% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.64% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.43% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.13% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.42% | 89.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.00% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.69% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.53% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.72% | 97.29% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.52% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.08% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.11% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 16098260 |
| LOTUS | LTS0026946 |
| wikiData | Q105213300 |