[(4aR,5S,6R,8aR)-5-[2-[(3R,5R)-5-methoxyoxolan-3-yl]ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
| Internal ID | e6c6c97c-b4c1-48dc-8037-347ab8187461 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | [(4aR,5S,6R,8aR)-5-[2-[(3R,5R)-5-methoxyoxolan-3-yl]ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol |
| SMILES (Canonical) | CC1CCC2(C(C1(C)CCC3CC(OC3)OC)CCC=C2CO)C |
| SMILES (Isomeric) | C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC[C@@H]3C[C@@H](OC3)OC)CCC=C2CO)C |
| InChI | InChI=1S/C21H36O3/c1-15-8-10-21(3)17(13-22)6-5-7-18(21)20(15,2)11-9-16-12-19(23-4)24-14-16/h6,15-16,18-19,22H,5,7-14H2,1-4H3/t15-,16-,18-,19-,20+,21+/m1/s1 |
| InChI Key | QJWMWEZKMZTCAP-VTLVALNESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H36O3 |
| Molecular Weight | 336.50 g/mol |
| Exact Mass | 336.26644501 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of [(4aR,5S,6R,8aR)-5-[2-[(3R,5R)-5-methoxyoxolan-3-yl]ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol](https://plantaedb.com/storage/docs/compounds/2023/11/f6fcfd60-8407-11ee-99ce-47adf8573a70.jpg "2D Structure of [(4aR,5S,6R,8aR)-5-[2-[(3R,5R)-5-methoxyoxolan-3-yl]ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.67% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.30% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.20% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.86% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.91% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.31% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.79% | 95.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.72% | 97.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.01% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.95% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.55% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.84% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.81% | 92.62% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.50% | 96.61% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.31% | 95.93% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 80.98% | 91.96% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.93% | 98.95% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.33% | 97.28% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 80.00% | 94.50% |
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.
| Baccharis rhomboidalis |
| Baccharis sagittalis |
| PubChem | 163068950 |
| LOTUS | LTS0191460 |
| wikiData | Q105222945 |