(1R,2R,4S,5S,9R,10S,13S,16S)-2,16-dihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde
| Internal ID | a26420f3-cf4f-4c93-9495-7ec4c64197b5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (1R,2R,4S,5S,9R,10S,13S,16S)-2,16-dihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H28O4/c1-11-12-5-6-13-19(3)8-4-7-18(2,10-21)14(19)9-15(22)20(13,16(11)23)17(12)24/h10,12-15,17,22,24H,1,4-9H2,2-3H3/t12-,13-,14+,15+,17-,18+,19-,20-/m0/s1 |
| InChI Key | ZXYPBEZVRIDTAX-HXPGAJDYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H28O4 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (1R,2R,4S,5S,9R,10S,13S,16S)-2,16-dihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/f2ab1bf0-85f9-11ee-a4b0-d5bcf9645f35.jpg "2D Structure of (1R,2R,4S,5S,9R,10S,13S,16S)-2,16-dihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde")
| 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 | 94.27% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.15% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.53% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.96% | 97.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.32% | 97.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.76% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.72% | 98.95% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 86.68% | 99.29% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.41% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.35% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.26% | 93.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.19% | 92.94% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.18% | 95.50% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.43% | 90.08% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.18% | 82.69% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.79% | 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.
| Isodon albopilosus |
| PubChem | 162962205 |
| LOTUS | LTS0027517 |
| wikiData | Q105385917 |