(3S,3aR,4S,9aR,9bS)-9a-hydroxy-3,6,9-trimethyl-4-[(2-methylpropan-2-yl)oxy]-3a,4,5,9b-tetrahydro-3H-azuleno[4,5-b]furan-2,7-dione
| Internal ID | d4081595-29fe-4c34-8cfa-5aee7eec9496 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | (3S,3aR,4S,9aR,9bS)-9a-hydroxy-3,6,9-trimethyl-4-[(2-methylpropan-2-yl)oxy]-3a,4,5,9b-tetrahydro-3H-azuleno[4,5-b]furan-2,7-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H26O5/c1-9-7-13(24-18(4,5)6)14-11(3)17(21)23-16(14)19(22)10(2)8-12(20)15(9)19/h8,11,13-14,16,22H,7H2,1-6H3/t11-,13-,14+,16-,19+/m0/s1 |
| InChI Key | GFSKBOWVEKODGN-YKUFKEQRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H26O5 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of (3S,3aR,4S,9aR,9bS)-9a-hydroxy-3,6,9-trimethyl-4-[(2-methylpropan-2-yl)oxy]-3a,4,5,9b-tetrahydro-3H-azuleno[4,5-b]furan-2,7-dione](https://plantaedb.com/storage/docs/compounds/2023/11/7f118620-863f-11ee-9138-1b4ef7a21889.jpg "2D Structure of (3S,3aR,4S,9aR,9bS)-9a-hydroxy-3,6,9-trimethyl-4-[(2-methylpropan-2-yl)oxy]-3a,4,5,9b-tetrahydro-3H-azuleno[4,5-b]furan-2,7-dione")
| 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 | 97.83% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.18% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.38% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.34% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.13% | 98.95% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.49% | 93.04% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 85.91% | 90.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.81% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.83% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.38% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.76% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.64% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.92% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.85% | 97.14% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.36% | 93.65% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.28% | 96.90% |
| CHEMBL1994 | P08235 | Mineralocorticoid 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 | 162816887 |
| LOTUS | LTS0070741 |
| wikiData | Q105007762 |