(1S,4R,5R,9R,10R,13R,14R)-14-hydroxy-5,14-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5,9-dicarboxylic acid
| Internal ID | 755a9e71-d02b-4736-9c2c-6864d4dc6a4e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (1S,4R,5R,9R,10R,13R,14R)-14-hydroxy-5,14-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5,9-dicarboxylic acid |
| SMILES (Canonical) | CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)(C)O)C(=O)O)C(=O)O |
| SMILES (Isomeric) | C[C@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@](C4)(C)O)C(=O)O)C(=O)O |
| InChI | InChI=1S/C20H30O5/c1-17(15(21)22)7-3-8-20(16(23)24)13(17)6-9-19-10-12(4-5-14(19)20)18(2,25)11-19/h12-14,25H,3-11H2,1-2H3,(H,21,22)(H,23,24)/t12-,13-,14-,17-,18-,19+,20+/m1/s1 |
| InChI Key | CDKNUBLSEZJSAU-YIXWCVDNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H30O5 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of (1S,4R,5R,9R,10R,13R,14R)-14-hydroxy-5,14-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5,9-dicarboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/8a9580f0-85d6-11ee-a8fa-d5a271a0b51e.jpg "2D Structure of (1S,4R,5R,9R,10R,13R,14R)-14-hydroxy-5,14-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5,9-dicarboxylic 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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.47% | 96.38% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 91.77% | 95.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.73% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.65% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.21% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.69% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.70% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.06% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.36% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.13% | 93.00% |
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.
| Tripterygium wilfordii |
| PubChem | 21593277 |
| LOTUS | LTS0080874 |
| wikiData | Q104954557 |