(1S,2S,4S,5S,9R,10S,13S,14S,16R)-5-(hydroxymethyl)-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-2-ol
| Internal ID | 602f86a0-5ecd-4197-abd9-663d89f2b2e1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (1S,2S,4S,5S,9R,10S,13S,14S,16R)-5-(hydroxymethyl)-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-2-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H32O3/c1-17(11-21)7-4-8-18(2)13-6-5-12-10-20(13,15(22)9-14(17)18)16-19(12,3)23-16/h12-16,21-22H,4-11H2,1-3H3/t12-,13-,14+,15-,16-,17+,18-,19-,20-/m0/s1 |
| InChI Key | BDWKHKXSYDEDRO-JUBVGSPESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O3 |
| Molecular Weight | 320.50 g/mol |
| Exact Mass | 320.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 53.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (1S,2S,4S,5S,9R,10S,13S,14S,16R)-5-(hydroxymethyl)-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2dea5ae0-8657-11ee-8fc6-bd47c3f80ddf.jpg "2D Structure of (1S,2S,4S,5S,9R,10S,13S,14S,16R)-5-(hydroxymethyl)-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-2-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.16% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.64% | 91.11% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 91.79% | 98.10% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.27% | 96.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.54% | 95.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.45% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.54% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.45% | 97.25% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 86.70% | 95.38% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 85.90% | 98.46% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.54% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.99% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.26% | 92.94% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 82.66% | 87.16% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 82.21% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.60% | 92.62% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.05% | 96.61% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.70% | 95.58% |
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 ozturkii |
| PubChem | 163092059 |
| LOTUS | LTS0082365 |
| wikiData | Q104924799 |