(2,8,10-Trihydroxy-5,9-dimethyl-14-methylidene-15-tetracyclo[11.2.1.01,10.04,9]hexadec-4-enyl) acetate
| Internal ID | 8bdf2ea8-e7e6-48f8-a623-696e4a4b3e87 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (2,8,10-trihydroxy-5,9-dimethyl-14-methylidene-15-tetracyclo[11.2.1.01,10.04,9]hexadec-4-enyl) acetate |
| SMILES (Canonical) | CC1=C2CC(C34CC(CCC3(C2(C(CC1)O)C)O)C(=C)C4OC(=O)C)O |
| SMILES (Isomeric) | CC1=C2CC(C34CC(CCC3(C2(C(CC1)O)C)O)C(=C)C4OC(=O)C)O |
| InChI | InChI=1S/C21H30O5/c1-11-5-6-16(23)19(4)15(11)9-17(24)20-10-14(7-8-21(19,20)25)12(2)18(20)26-13(3)22/h14,16-18,23-25H,2,5-10H2,1,3-4H3 |
| InChI Key | XMXBKYHAYRKBIV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H30O5 |
| Molecular Weight | 362.50 g/mol |
| Exact Mass | 362.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of (2,8,10-Trihydroxy-5,9-dimethyl-14-methylidene-15-tetracyclo[11.2.1.01,10.04,9]hexadec-4-enyl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/44d74c10-85c3-11ee-a36c-3f1a4e51d0c6.jpg "2D Structure of (2,8,10-Trihydroxy-5,9-dimethyl-14-methylidene-15-tetracyclo[11.2.1.01,10.04,9]hexadec-4-enyl) acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.36% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.57% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.29% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.65% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.10% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.67% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.49% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.13% | 94.45% |
| CHEMBL5028 | O14672 | ADAM10 | 83.06% | 97.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.31% | 91.19% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.88% | 94.75% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.67% | 96.43% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.36% | 95.62% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.93% | 82.69% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.69% | 95.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.50% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.37% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.29% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.06% | 97.79% |
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.
| Platycarphella carlinoides |
| PubChem | 14396774 |
| LOTUS | LTS0206137 |
| wikiData | Q105331483 |