(1R,4S,5S,9S,10S,13R,15R)-15-hydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
| Internal ID | 0e4d56e5-2d2b-42d3-82c0-6e59af76fdfd |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (1R,4S,5S,9S,10S,13R,15R)-15-hydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-6-one |
| SMILES (Canonical) | CC12CCC(=O)C(C1CCC34C2CCC(C3)C(=C)C4O)(C)CO |
| SMILES (Isomeric) | C[C@@]12CCC(=O)[C@]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)[C@H]4O)(C)CO |
| InChI | InChI=1S/C20H30O3/c1-12-13-4-5-15-18(2)8-7-16(22)19(3,11-21)14(18)6-9-20(15,10-13)17(12)23/h13-15,17,21,23H,1,4-11H2,2-3H3/t13-,14+,15+,17-,18-,19-,20-/m1/s1 |
| InChI Key | BVPOJNLLEWUEBM-HMJFWSPYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (1R,4S,5S,9S,10S,13R,15R)-15-hydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/b9f38940-876b-11ee-b337-bd4873b1925b.jpg "2D Structure of (1R,4S,5S,9S,10S,13R,15R)-15-hydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-6-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 | 94.69% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.79% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.25% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.68% | 96.38% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.53% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.17% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.66% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.22% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.41% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.89% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.62% | 94.45% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 82.06% | 95.42% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.50% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.49% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.52% | 93.04% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.14% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.09% | 95.56% |
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.
| Isodon wikstroemioides |
| PubChem | 90670212 |
| LOTUS | LTS0219720 |
| wikiData | Q104946727 |