(1R,3R,4R,6R,7S,8R,10S,13R,14S,16R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,13,16-hexol
| Internal ID | 3f8026a6-0935-4ad5-b7e5-b7270b56ddf4 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | (1R,3R,4R,6R,7S,8R,10S,13R,14S,16R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,13,16-hexol |
| SMILES (Canonical) | CC1CC23CC(C4(C(C(C(C4(C)C)O)O)C(=C)C2CCC1(C3O)O)O)O |
| SMILES (Isomeric) | C[C@H]1C[C@@]23C[C@H]([C@]4([C@@H]([C@@H]([C@@H](C4(C)C)O)O)C(=C)[C@@H]2CC[C@@]1([C@@H]3O)O)O)O |
| InChI | InChI=1S/C20H32O6/c1-9-7-18-8-12(21)20(26)13(14(22)15(23)17(20,3)4)10(2)11(18)5-6-19(9,25)16(18)24/h9,11-16,21-26H,2,5-8H2,1,3-4H3/t9-,11-,12+,13+,14-,15-,16+,18+,19+,20+/m0/s1 |
| InChI Key | SHJPEVHCZVXORT-OAZYMELPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O6 |
| Molecular Weight | 368.50 g/mol |
| Exact Mass | 368.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of (1R,3R,4R,6R,7S,8R,10S,13R,14S,16R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,13,16-hexol](https://plantaedb.com/storage/docs/compounds/2023/11/75a3e790-8620-11ee-8022-3de5caecebde.jpg "2D Structure of (1R,3R,4R,6R,7S,8R,10S,13R,14S,16R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,13,16-hexol")
| 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 | 95.74% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.90% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.87% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.32% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 86.58% | 95.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.30% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.98% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.69% | 91.11% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.77% | 95.50% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 82.39% | 95.27% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.43% | 90.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.15% | 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.
| Craibiodendron henryi |
| PubChem | 162903477 |
| LOTUS | LTS0043795 |
| wikiData | Q105253013 |