(1S,3R,4R,6R,7S,8S,9R,10R,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,14,16-heptol
| Internal ID | ec04936a-1e5c-477c-a97d-1ac47f0eddb5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Grayanoids > Leucothol and grayanotoxane diterpenoids |
| IUPAC Name | (1S,3R,4R,6R,7S,8S,9R,10R,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,14,16-heptol |
| SMILES (Canonical) | CC1(C(C(C2C1(C(CC34CC(C(C3O)CCC4C2(C)O)(C)O)O)O)O)O)C |
| SMILES (Isomeric) | C[C@]1(C[C@@]23C[C@H]([C@]4([C@@H]([C@@H]([C@@H](C4(C)C)O)O)[C@]([C@@H]2CC[C@@H]1[C@H]3O)(C)O)O)O)O |
| InChI | InChI=1S/C20H34O7/c1-16(2)15(24)12(22)13-18(4,26)10-6-5-9-14(23)19(10,8-17(9,3)25)7-11(21)20(13,16)27/h9-15,21-27H,5-8H2,1-4H3/t9-,10+,11-,12+,13+,14-,15+,17-,18-,19+,20-/m1/s1 |
| InChI Key | OIRQCTPPDJLTNN-GLHQSWFFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O7 |
| Molecular Weight | 386.50 g/mol |
| Exact Mass | 386.23045342 g/mol |
| Topological Polar Surface Area (TPSA) | 142.00 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of (1S,3R,4R,6R,7S,8S,9R,10R,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,14,16-heptol](https://plantaedb.com/storage/docs/compounds/2023/11/0d77f3c0-867e-11ee-9f12-bf97f72a3c78.jpg "2D Structure of (1S,3R,4R,6R,7S,8S,9R,10R,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,14,16-heptol")
| 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 | 95.78% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.19% | 95.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.20% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.52% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.63% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.40% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.25% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.60% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.98% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.14% | 95.89% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 84.88% | 98.46% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.90% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.66% | 94.75% |
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 | 10715188 |
| LOTUS | LTS0205838 |
| wikiData | Q105192719 |