10-Hydroxy-5,9-dimethyl-15-(2-methylbut-2-enoyloxy)-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
| Internal ID | e22c5ef3-8061-4212-a765-9f7060eb1972 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 10-hydroxy-5,9-dimethyl-15-(2-methylbut-2-enoyloxy)-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
| SMILES (Canonical) | CC=C(C)C(=O)OC1C(=C)C2CCC3(C1(C2)CCC4C3(CCCC4(C)C(=O)O)C)O |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1C(=C)C2CCC3(C1(C2)CCC4C3(CCCC4(C)C(=O)O)C)O |
| InChI | InChI=1S/C25H36O5/c1-6-15(2)20(26)30-19-16(3)17-8-13-25(29)23(5)11-7-10-22(4,21(27)28)18(23)9-12-24(19,25)14-17/h6,17-19,29H,3,7-14H2,1-2,4-5H3,(H,27,28) |
| InChI Key | CSECYHNWAWCJBQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H36O5 |
| Molecular Weight | 416.50 g/mol |
| Exact Mass | 416.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 10-Hydroxy-5,9-dimethyl-15-(2-methylbut-2-enoyloxy)-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/39821fe0-832b-11ee-a527-6b0678b41a16.jpg "2D Structure of 10-Hydroxy-5,9-dimethyl-15-(2-methylbut-2-enoyloxy)-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid")
| 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 | 93.41% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.95% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.92% | 91.19% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.25% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.38% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.05% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.75% | 89.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.74% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.56% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.84% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.77% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.42% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.03% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.85% | 95.50% |
| CHEMBL4683 | Q12884 | Fibroblast activation protein alpha | 82.39% | 93.07% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.20% | 93.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.59% | 96.43% |
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.
| Gonzalezia hypargyrea |
| Goyazianthus tetrastichus |
| Oyedaea verbesinoides |
| Steiractinia sodiroi |
| Wedelia hookeriana |
| PubChem | 74146145 |
| LOTUS | LTS0112210 |
| wikiData | Q104969102 |