(2R,6R,8R)-5-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-2,8-dimethyltricyclo[5.3.0.02,6]decan-3-ol
| Internal ID | c66baff6-b4f7-4878-92b5-46f94a276a0f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Spatane and 4,10-secospatane diterpenoids |
| IUPAC Name | (2R,6R,8R)-5-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-2,8-dimethyltricyclo[5.3.0.02,6]decan-3-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H32O2/c1-11(2)16(21)9-7-12(3)14-10-17(22)20(5)15-8-6-13(4)18(15)19(14)20/h13-19,21-22H,1,3,6-10H2,2,4-5H3/t13-,14?,15?,16?,17?,18?,19+,20+/m1/s1 |
| InChI Key | XISXUUCUYHRCSN-LUYJZZCESA-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 | 5.00 |
| There are no found synonyms. |
![2D Structure of (2R,6R,8R)-5-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-2,8-dimethyltricyclo[5.3.0.02,6]decan-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2r6r8r-5-5-hydroxy-6-methylhepta-16-dien-2-yl-28-dimethyltricyclo530026decan-3-ol.jpg "2D Structure of (2R,6R,8R)-5-(5-hydroxy-6-methylhepta-1,6-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.41% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.63% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.60% | 85.14% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 95.74% | 97.64% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 95.27% | 96.61% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.13% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.25% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.94% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.87% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.31% | 91.11% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 88.90% | 95.58% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.79% | 94.45% |
| CHEMBL233 | P35372 | Mu opioid receptor | 86.57% | 97.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.17% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.00% | 91.19% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.52% | 95.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.38% | 90.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.38% | 92.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.57% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.56% | 82.69% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.51% | 96.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.47% | 96.47% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.15% | 86.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.55% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.10% | 92.86% |
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 | 163186012 |
| LOTUS | LTS0083342 |
| wikiData | Q105328731 |