(2R,6R,8R)-5-[(4E)-6-hydroxy-6-methylhepta-1,4-dien-2-yl]-2,8-dimethyltricyclo[5.3.0.02,6]decan-3-ol
| Internal ID | 5533d439-98c7-42be-acab-3f3ac593c35c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Spatane and 4,10-secospatane diterpenoids |
| IUPAC Name | (2R,6R,8R)-5-[(4E)-6-hydroxy-6-methylhepta-1,4-dien-2-yl]-2,8-dimethyltricyclo[5.3.0.02,6]decan-3-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H32O2/c1-12(7-6-10-19(3,4)22)14-11-16(21)20(5)15-9-8-13(2)17(15)18(14)20/h6,10,13-18,21-22H,1,7-9,11H2,2-5H3/b10-6+/t13-,14?,15?,16?,17?,18+,20+/m1/s1 |
| InChI Key | UNFATVMRCUCOCE-MIMNOFOCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of (2R,6R,8R)-5-[(4E)-6-hydroxy-6-methylhepta-1,4-dien-2-yl]-2,8-dimethyltricyclo[5.3.0.02,6]decan-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2r6r8r-5-4e-6-hydroxy-6-methylhepta-14-dien-2-yl-28-dimethyltricyclo530026decan-3-ol.jpg "2D Structure of (2R,6R,8R)-5-[(4E)-6-hydroxy-6-methylhepta-1,4-dien-2-yl]-2,8-dimethyltricyclo[5.3.0.02,6]decan-3-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 |
|---|---|---|---|---|
| CHEMBL206 | P03372 | Estrogen receptor alpha | 96.17% | 97.64% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.39% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 92.63% | 97.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.37% | 96.61% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.91% | 85.14% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.82% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.68% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.64% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.56% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.26% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.20% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.72% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.48% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.79% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.69% | 96.95% |
| CHEMBL5251 | Q06187 | Tyrosine-protein kinase BTK | 84.67% | 98.51% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.74% | 95.89% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.51% | 95.71% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.33% | 99.18% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 82.30% | 95.27% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.14% | 90.93% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.08% | 97.14% |
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 | 163190202 |
| LOTUS | LTS0035236 |
| wikiData | Q105275942 |