(2S,7R)-7-methyl-3-methylidene-10-[(2R)-2,6,6-trimethyloxan-2-yl]decane-1,2-diol
| Internal ID | b18edc08-b903-49bc-9f05-3e8708c51523 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (2S,7R)-7-methyl-3-methylidene-10-[(2R)-2,6,6-trimethyloxan-2-yl]decane-1,2-diol |
| SMILES (Canonical) | CC(CCCC(=C)C(CO)O)CCCC1(CCCC(O1)(C)C)C |
| SMILES (Isomeric) | C[C@H](CCCC(=C)[C@@H](CO)O)CCC[C@@]1(CCCC(O1)(C)C)C |
| InChI | InChI=1S/C20H38O3/c1-16(9-6-11-17(2)18(22)15-21)10-7-13-20(5)14-8-12-19(3,4)23-20/h16,18,21-22H,2,6-15H2,1,3-5H3/t16-,18-,20-/m1/s1 |
| InChI Key | WSHXZEKFCZOCJL-YVWKXTFCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H38O3 |
| Molecular Weight | 326.50 g/mol |
| Exact Mass | 326.28209507 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of (2S,7R)-7-methyl-3-methylidene-10-[(2R)-2,6,6-trimethyloxan-2-yl]decane-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2s7r-7-methyl-3-methylidene-10-2r-266-trimethyloxan-2-yldecane-12-diol.jpg "2D Structure of (2S,7R)-7-methyl-3-methylidene-10-[(2R)-2,6,6-trimethyloxan-2-yl]decane-1,2-diol")
| 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 | 95.48% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.23% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.12% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.41% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.12% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.36% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.21% | 96.47% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.98% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.55% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.56% | 98.10% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.28% | 96.21% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.12% | 89.05% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.75% | 98.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.67% | 93.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.30% | 95.50% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.26% | 97.93% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.61% | 92.88% |
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.
| Anisopappus pinnatifida |
| PubChem | 163106468 |
| LOTUS | LTS0075235 |
| wikiData | Q105311870 |