(E,4R)-1-[(1S,5E,9R,10R)-6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl]-4,5-dihydroxy-4-methylpent-2-en-1-one
| Internal ID | 60135131-1bcd-4ae0-8438-df30122a057f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Xeniaphyllane and xenicane diterpenoids |
| IUPAC Name | (E,4R)-1-[(1S,5E,9R,10R)-6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl]-4,5-dihydroxy-4-methylpent-2-en-1-one |
| SMILES (Canonical) | CC1=CCCC(=C)C2CC(C2CC1)(C)C(=O)C=CC(C)(CO)O |
| SMILES (Isomeric) | C/C/1=C\CCC(=C)[C@H]2C[C@@]([C@@H]2CC1)(C)C(=O)/C=C/[C@](C)(CO)O |
| InChI | InChI=1S/C20H30O3/c1-14-6-5-7-15(2)16-12-20(4,17(16)9-8-14)18(22)10-11-19(3,23)13-21/h6,10-11,16-17,21,23H,2,5,7-9,12-13H2,1,3-4H3/b11-10+,14-6+/t16-,17-,19-,20-/m1/s1 |
| InChI Key | PIHJJPQEXCTUBJ-SQZIIMBLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (E,4R)-1-[(1S,5E,9R,10R)-6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl]-4,5-dihydroxy-4-methylpent-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/d7c55880-85f9-11ee-b23a-8bcae9bdbc99.jpg "2D Structure of (E,4R)-1-[(1S,5E,9R,10R)-6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl]-4,5-dihydroxy-4-methylpent-2-en-1-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.10% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.71% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.37% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.47% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.89% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.04% | 95.56% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.26% | 91.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.18% | 98.95% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.78% | 90.93% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.50% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.76% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.32% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.91% | 89.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.84% | 100.00% |
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.
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| There are no matching plants. |
| PubChem | 163195450 |
| LOTUS | LTS0082707 |
| wikiData | Q105209526 |