[7-Hydroxy-2-[6-hydroxy-4-(hydroxymethyl)hex-4-enylidene]-6,10-dimethyl-9-methylideneundec-5-enyl] acetate
| Internal ID | 52407bfb-fae9-4060-a76c-5068097a6b23 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids |
| IUPAC Name | [7-hydroxy-2-[6-hydroxy-4-(hydroxymethyl)hex-4-enylidene]-6,10-dimethyl-9-methylideneundec-5-enyl] acetate |
| SMILES (Canonical) | CC(C)C(=C)CC(C(=CCCC(=CCCC(=CCO)CO)COC(=O)C)C)O |
| SMILES (Isomeric) | CC(C)C(=C)CC(C(=CCCC(=CCCC(=CCO)CO)COC(=O)C)C)O |
| InChI | InChI=1S/C23H38O5/c1-17(2)19(4)14-23(27)18(3)8-6-10-22(16-28-20(5)26)11-7-9-21(15-25)12-13-24/h8,11-12,17,23-25,27H,4,6-7,9-10,13-16H2,1-3,5H3 |
| InChI Key | IZYHHCDDTQGBQG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H38O5 |
| Molecular Weight | 394.50 g/mol |
| Exact Mass | 394.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of [7-Hydroxy-2-[6-hydroxy-4-(hydroxymethyl)hex-4-enylidene]-6,10-dimethyl-9-methylideneundec-5-enyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/eeef8260-85ec-11ee-bcfa-2fe9a1ba1960.jpg "2D Structure of [7-Hydroxy-2-[6-hydroxy-4-(hydroxymethyl)hex-4-enylidene]-6,10-dimethyl-9-methylideneundec-5-enyl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.94% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.56% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.55% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.80% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.17% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.56% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.64% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.31% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.52% | 94.73% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.88% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.79% | 96.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.50% | 85.14% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.90% | 96.47% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.47% | 87.45% |
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.
| Lasiolaena morii |
| PubChem | 163029939 |
| LOTUS | LTS0183087 |
| wikiData | Q105123595 |