(1S,4R,5R,9R,10R,13R,14R)-14-hydroxy-5,14-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5,9-dicarbaldehyde
| Internal ID | 4b30d7c3-182d-4fc2-acad-ad424e859021 |
| 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-dicarbaldehyde |
| SMILES (Canonical) | CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)(C)O)C=O)C=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)C=O |
| InChI | InChI=1S/C20H30O3/c1-17(12-21)7-3-8-20(13-22)15(17)6-9-19-10-14(4-5-16(19)20)18(2,23)11-19/h12-16,23H,3-11H2,1-2H3/t14-,15-,16-,17+,18-,19+,20+/m1/s1 |
| InChI Key | AHHOXVSIDCTHSK-VMJIZDNZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 2.80 |
| 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-dicarbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/b897c310-8590-11ee-8c96-1b4aebbae044.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-dicarbaldehyde")
| 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 | 94.04% | 96.38% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 89.16% | 95.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.48% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.22% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.31% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.84% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.30% | 97.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.16% | 95.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.59% | 93.00% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 81.95% | 99.29% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.62% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.71% | 100.00% |
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.
| Ryparosa acuminata |
| PubChem | 162908254 |
| LOTUS | LTS0231578 |
| wikiData | Q104912234 |