(1S,2R,5R,6R,7R,8R)-2,8-dimethyl-5-[(3R,4E,6R)-3,6,7-trihydroxy-6-methylhepta-1,4-dien-2-yl]tricyclo[5.3.0.02,6]decan-3-one
| Internal ID | f2d5342f-8458-4060-8bcc-f77bc85c18ac |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Spatane and 4,10-secospatane diterpenoids |
| IUPAC Name | (1S,2R,5R,6R,7R,8R)-2,8-dimethyl-5-[(3R,4E,6R)-3,6,7-trihydroxy-6-methylhepta-1,4-dien-2-yl]tricyclo[5.3.0.02,6]decan-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H30O4/c1-11-5-6-14-17(11)18-13(9-16(23)20(14,18)4)12(2)15(22)7-8-19(3,24)10-21/h7-8,11,13-15,17-18,21-22,24H,2,5-6,9-10H2,1,3-4H3/b8-7+/t11-,13+,14+,15-,17-,18+,19-,20+/m1/s1 |
| InChI Key | PIQKTPMDCOQYRT-HQXRUAAMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (1S,2R,5R,6R,7R,8R)-2,8-dimethyl-5-[(3R,4E,6R)-3,6,7-trihydroxy-6-methylhepta-1,4-dien-2-yl]tricyclo[5.3.0.02,6]decan-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/f6969440-863d-11ee-97e1-75461fa807ea.jpg "2D Structure of (1S,2R,5R,6R,7R,8R)-2,8-dimethyl-5-[(3R,4E,6R)-3,6,7-trihydroxy-6-methylhepta-1,4-dien-2-yl]tricyclo[5.3.0.02,6]decan-3-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.24% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.30% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.82% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.65% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.64% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.90% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.96% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.81% | 86.33% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.65% | 97.05% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.38% | 96.61% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.59% | 93.18% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.46% | 94.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.99% | 93.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.96% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.36% | 89.34% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.13% | 93.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.03% | 95.89% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.55% | 90.93% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.06% | 93.04% |
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 | 163067108 |
| LOTUS | LTS0205799 |
| wikiData | Q105209647 |