(1S,3aS,5R,8aR)-1-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,6-dimethyl-2,3,4,5,8,8a-hexahydro-1H-azulen-5-ol
| Internal ID | 42ecbb46-4230-4798-80cf-9b640978a214 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Sphenolobane diterpenoids |
| IUPAC Name | (1S,3aS,5R,8aR)-1-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,6-dimethyl-2,3,4,5,8,8a-hexahydro-1H-azulen-5-ol |
| SMILES (Canonical) | CC1=CCC2C(CCC2(CC1O)C)C(C)(CCC=C(C)C)O |
| SMILES (Isomeric) | CC1=CC[C@@H]2[C@H](CC[C@]2(C[C@H]1O)C)[C@@](C)(CCC=C(C)C)O |
| InChI | InChI=1S/C20H34O2/c1-14(2)7-6-11-20(5,22)17-10-12-19(4)13-18(21)15(3)8-9-16(17)19/h7-8,16-18,21-22H,6,9-13H2,1-5H3/t16-,17+,18-,19+,20-/m1/s1 |
| InChI Key | HMWIFHMCICZXSO-UJMXGEILSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O2 |
| Molecular Weight | 306.50 g/mol |
| Exact Mass | 306.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of (1S,3aS,5R,8aR)-1-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,6-dimethyl-2,3,4,5,8,8a-hexahydro-1H-azulen-5-ol](https://plantaedb.com/storage/docs/compounds/2023/11/9ba60460-856c-11ee-a492-e338e4baf71c.jpg "2D Structure of (1S,3aS,5R,8aR)-1-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,6-dimethyl-2,3,4,5,8,8a-hexahydro-1H-azulen-5-ol")
| 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 | 98.78% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.07% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.32% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.87% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.42% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.37% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.52% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.48% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.03% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.53% | 93.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.51% | 98.95% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 82.47% | 95.52% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.34% | 92.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.26% | 96.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.56% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.48% | 97.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.22% | 94.73% |
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.
| There are no matching plants. |
| PubChem | 162846652 |
| LOTUS | LTS0182435 |
| wikiData | Q105030711 |