(3aS,4R,5S,8R,8aR)-3-methyl-5-[(2R)-6-methylhept-5-en-2-yl]spiro[3a,4,5,6,7,8a-hexahydro-1H-azulene-8,2'-oxirane]-4-ol
| Internal ID | 148e5089-3aa2-47c3-aba4-e865cc279d26 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (3aS,4R,5S,8R,8aR)-3-methyl-5-[(2R)-6-methylhept-5-en-2-yl]spiro[3a,4,5,6,7,8a-hexahydro-1H-azulene-8,2'-oxirane]-4-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H32O2/c1-13(2)6-5-7-14(3)16-10-11-20(12-22-20)17-9-8-15(4)18(17)19(16)21/h6,8,14,16-19,21H,5,7,9-12H2,1-4H3/t14-,16+,17-,18-,19-,20+/m1/s1 |
| InChI Key | WHCLRGCLZIMZNM-BGTOTAHLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 32.80 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of (3aS,4R,5S,8R,8aR)-3-methyl-5-[(2R)-6-methylhept-5-en-2-yl]spiro[3a,4,5,6,7,8a-hexahydro-1H-azulene-8,2'-oxirane]-4-ol](https://plantaedb.com/storage/docs/compounds/2023/11/98efcd20-874b-11ee-a11e-ab14e3de1816.jpg "2D Structure of (3aS,4R,5S,8R,8aR)-3-methyl-5-[(2R)-6-methylhept-5-en-2-yl]spiro[3a,4,5,6,7,8a-hexahydro-1H-azulene-8,2'-oxirane]-4-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.09% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.95% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.97% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.27% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.88% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.86% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.83% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.10% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.33% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.12% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.09% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.74% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.84% | 94.73% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 84.79% | 97.47% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.60% | 94.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.50% | 100.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.98% | 93.18% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.28% | 95.58% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.26% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.89% | 95.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.01% | 98.75% |
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 | 101967006 |
| LOTUS | LTS0220410 |
| wikiData | Q104402347 |