(2R)-1-[(1R,5E,9S,10R)-6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl]-4-methylpent-3-en-2-ol
| Internal ID | 2c05b80a-ac31-40d4-ad8e-ec7548a1f382 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Xeniaphyllane and xenicane diterpenoids |
| IUPAC Name | (2R)-1-[(1R,5E,9S,10R)-6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl]-4-methylpent-3-en-2-ol |
| SMILES (Canonical) | CC1=CCCC(=C)C2CC(C2CC1)(C)CC(C=C(C)C)O |
| SMILES (Isomeric) | C/C/1=C\CCC(=C)[C@@H]2C[C@]([C@H]2CC1)(C)C[C@H](C=C(C)C)O |
| InChI | InChI=1S/C20H32O/c1-14(2)11-17(21)12-20(5)13-18-16(4)8-6-7-15(3)9-10-19(18)20/h7,11,17-19,21H,4,6,8-10,12-13H2,1-3,5H3/b15-7+/t17-,18-,19-,20-/m0/s1 |
| InChI Key | LUOWJVIXKXXKJE-DHJLJLALSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O |
| Molecular Weight | 288.50 g/mol |
| Exact Mass | 288.245315640 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of (2R)-1-[(1R,5E,9S,10R)-6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl]-4-methylpent-3-en-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/6b2ae360-8596-11ee-bdf6-63205073e5cd.jpg "2D Structure of (2R)-1-[(1R,5E,9S,10R)-6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl]-4-methylpent-3-en-2-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.61% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.09% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.78% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 92.14% | 89.76% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.45% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.23% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.40% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.39% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.23% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.70% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.25% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.84% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.05% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.12% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.60% | 91.19% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 80.53% | 97.64% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.33% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.05% | 89.62% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.03% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 162874208 |
| LOTUS | LTS0164254 |
| wikiData | Q105157573 |