[7,10-Dihydroxy-2-(6-hydroxy-4-methylhex-4-enylidene)-6,10-dimethylundec-8-enyl] acetate
| Internal ID | 37ab4491-6460-4271-8eb4-5f7e3f1735f3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids |
| IUPAC Name | [7,10-dihydroxy-2-(6-hydroxy-4-methylhex-4-enylidene)-6,10-dimethylundec-8-enyl] acetate |
| SMILES (Canonical) | CC(CCCC(=CCCC(=CCO)C)COC(=O)C)C(C=CC(C)(C)O)O |
| SMILES (Isomeric) | CC(CCCC(=CCCC(=CCO)C)COC(=O)C)C(C=CC(C)(C)O)O |
| InChI | InChI=1S/C22H38O5/c1-17(13-15-23)8-6-10-20(16-27-19(3)24)11-7-9-18(2)21(25)12-14-22(4,5)26/h10,12-14,18,21,23,25-26H,6-9,11,15-16H2,1-5H3 |
| InChI Key | ROCCQXPZHZBUAS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H38O5 |
| Molecular Weight | 382.50 g/mol |
| Exact Mass | 382.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of [7,10-Dihydroxy-2-(6-hydroxy-4-methylhex-4-enylidene)-6,10-dimethylundec-8-enyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/710-dihydroxy-2-6-hydroxy-4-methylhex-4-enylidene-610-dimethylundec-8-enyl-acetate.jpg "2D Structure of [7,10-Dihydroxy-2-(6-hydroxy-4-methylhex-4-enylidene)-6,10-dimethylundec-8-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.49% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.92% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.42% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.95% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.27% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.07% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.94% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.62% | 91.11% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.03% | 100.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.28% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.98% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.25% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.61% | 94.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.59% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.54% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.36% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.07% | 93.00% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 82.66% | 86.67% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.12% | 89.50% |
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.
| Carpesium triste |
| PubChem | 74396881 |
| LOTUS | LTS0178432 |
| wikiData | Q105242060 |