(4,6,7,9,14,16-Hexahydroxy-5,5,9,14-tetramethyl-3-tetracyclo[11.2.1.01,10.04,8]hexadecanyl) acetate
| Internal ID | 2a31ee4d-64e4-4d23-bc7f-0c74df6ff516 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Grayanoids > Leucothol and grayanotoxane diterpenoids |
| IUPAC Name | (4,6,7,9,14,16-hexahydroxy-5,5,9,14-tetramethyl-3-tetracyclo[11.2.1.01,10.04,8]hexadecanyl) acetate |
| SMILES (Canonical) | CC(=O)OC1CC23CC(C(C2O)CCC3C(C4C1(C(C(C4O)O)(C)C)O)(C)O)(C)O |
| SMILES (Isomeric) | CC(=O)OC1CC23CC(C(C2O)CCC3C(C4C1(C(C(C4O)O)(C)C)O)(C)O)(C)O |
| InChI | InChI=1S/C22H36O8/c1-10(23)30-13-8-21-9-19(4,27)11(16(21)25)6-7-12(21)20(5,28)15-14(24)17(26)18(2,3)22(13,15)29/h11-17,24-29H,6-9H2,1-5H3 |
| InChI Key | VNEMCNXMJWNLDK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H36O8 |
| Molecular Weight | 428.50 g/mol |
| Exact Mass | 428.24101810 g/mol |
| Topological Polar Surface Area (TPSA) | 148.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of (4,6,7,9,14,16-Hexahydroxy-5,5,9,14-tetramethyl-3-tetracyclo[11.2.1.01,10.04,8]hexadecanyl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/46791416-hexahydroxy-55914-tetramethyl-3-tetracyclo11210110048hexadecanyl-acetate.jpg "2D Structure of (4,6,7,9,14,16-Hexahydroxy-5,5,9,14-tetramethyl-3-tetracyclo[11.2.1.01,10.04,8]hexadecanyl) acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.45% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.72% | 92.94% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.57% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.67% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.66% | 97.25% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.92% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.59% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.42% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.54% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.26% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.05% | 95.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.11% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.02% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.84% | 94.45% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.61% | 91.24% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.51% | 92.50% |
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.
| Rhododendron molle |
| PubChem | 72748161 |
| LOTUS | LTS0230536 |
| wikiData | Q105289556 |