(1R,2S,4S,5S,9R,10S,13R)-2-hydroxy-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-one
| Internal ID | 6e4fb3df-b5b0-4571-8842-d4c86141b311 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives |
| IUPAC Name | (1R,2S,4S,5S,9R,10S,13R)-2-hydroxy-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-one |
| SMILES (Canonical) | CC1(CCCC2(C1CC(C34C2CCC(C3)C(=O)C4)O)C)CO |
| SMILES (Isomeric) | C[C@@]1(CCC[C@@]2([C@@H]1C[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=O)C4)O)C)CO |
| InChI | InChI=1S/C19H30O3/c1-17(11-20)6-3-7-18(2)14-5-4-12-9-19(14,10-13(12)21)16(22)8-15(17)18/h12,14-16,20,22H,3-11H2,1-2H3/t12-,14+,15-,16+,17-,18+,19-/m1/s1 |
| InChI Key | AEWXPTPDMUDJQX-QJVVAYILSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H30O3 |
| Molecular Weight | 306.40 g/mol |
| Exact Mass | 306.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (1R,2S,4S,5S,9R,10S,13R)-2-hydroxy-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/97d6a130-8538-11ee-8cb8-9be66cbc9ed5.jpg "2D Structure of (1R,2S,4S,5S,9R,10S,13R)-2-hydroxy-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-one")
| 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 | 96.57% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.67% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.36% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.28% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.21% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.79% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.06% | 96.77% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.88% | 82.69% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.56% | 94.75% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.22% | 93.04% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.16% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.17% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.06% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.96% | 96.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.56% | 98.03% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.44% | 95.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.22% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.14% | 95.93% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.81% | 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.
| Sideritis soluta |
| PubChem | 101480807 |
| LOTUS | LTS0010505 |
| wikiData | Q104910708 |