4,9,14,16-Tetrahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,6-dione
| Internal ID | 59ae6e95-7fac-43e4-9424-08fdefb5e03b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Grayanoids > Leucothol and grayanotoxane diterpenoids |
| IUPAC Name | 4,9,14,16-tetrahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,6-dione |
| SMILES (Canonical) | CC1(C(=O)CC2C1(C(=O)CC34CC(C(C3O)CCC4C2(C)O)(C)O)O)C |
| SMILES (Isomeric) | CC1(C(=O)CC2C1(C(=O)CC34CC(C(C3O)CCC4C2(C)O)(C)O)O)C |
| InChI | InChI=1S/C20H30O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-12,15,23-26H,5-9H2,1-4H3 |
| InChI Key | ZUTOROLSTKASIN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O6 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of 4,9,14,16-Tetrahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/491416-tetrahydroxy-55914-tetramethyltetracyclo11210110048hexadecane-36-dione.jpg "2D Structure of 4,9,14,16-Tetrahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,6-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.55% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.13% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.87% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.60% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.14% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.63% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.39% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.99% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.84% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.56% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.29% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.10% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.03% | 93.03% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 81.16% | 92.97% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.08% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.57% | 94.00% |
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.
| Leucothoe grayana |
| PubChem | 162881296 |
| LOTUS | LTS0200175 |
| wikiData | Q105384105 |