11-Hydroxy-9-methoxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
| Internal ID | f49400f3-f5fd-44d9-918c-dc997ba608c6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | 11-hydroxy-9-methoxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione |
| SMILES (Canonical) | CC1(CCC2C3(C1C(OC3O)OC)C4CCC5CC4(C(=O)C5=C)C(=O)O2)C |
| SMILES (Isomeric) | CC1(CCC2C3(C1C(OC3O)OC)C4CCC5CC4(C(=O)C5=C)C(=O)O2)C |
| InChI | InChI=1S/C21H28O6/c1-10-11-5-6-12-20(9-11,15(10)22)17(23)26-13-7-8-19(2,3)14-16(25-4)27-18(24)21(12,13)14/h11-14,16,18,24H,1,5-9H2,2-4H3 |
| InChI Key | NJVRXPKRTJKFCO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H28O6 |
| Molecular Weight | 376.40 g/mol |
| Exact Mass | 376.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 11-Hydroxy-9-methoxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione](https://plantaedb.com/storage/docs/compounds/2023/11/21116630-8584-11ee-a0b7-87c752deb647.jpg "2D Structure of 11-Hydroxy-9-methoxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.12% | 94.45% |
| CHEMBL204 | P00734 | Thrombin | 93.88% | 96.01% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.00% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.92% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.05% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.16% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.61% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.56% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.14% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.61% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.48% | 100.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 82.41% | 96.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.02% | 96.43% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.71% | 96.38% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.66% | 92.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.85% | 92.62% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.32% | 96.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.06% | 98.95% |
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 serra |
| PubChem | 72786546 |
| LOTUS | LTS0119560 |
| wikiData | Q105180339 |