(6a-hydroxy-3,6,9-trimethylidene-2-oxo-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-8-yl) 2-methylbutanoate
Internal ID | 10c3454a-5935-4a92-a762-3d7c2c40fb79 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Guaianolides and derivatives |
IUPAC Name | (6a-hydroxy-3,6,9-trimethylidene-2-oxo-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-8-yl) 2-methylbutanoate |
SMILES (Canonical) | CCC(C)C(=O)OC1CC2(C(C1=C)C3C(CCC2=C)C(=C)C(=O)O3)O |
SMILES (Isomeric) | CCC(C)C(=O)OC1CC2(C(C1=C)C3C(CCC2=C)C(=C)C(=O)O3)O |
InChI | InChI=1S/C20H26O5/c1-6-10(2)18(21)24-15-9-20(23)11(3)7-8-14-12(4)19(22)25-17(14)16(20)13(15)5/h10,14-17,23H,3-9H2,1-2H3 |
InChI Key | JRTGUZKDZZJSFD-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H26O5 |
Molecular Weight | 346.40 g/mol |
Exact Mass | 346.17802393 g/mol |
Topological Polar Surface Area (TPSA) | 72.80 Ų |
XlogP | 2.20 |
There are no found synonyms. |
![2D Structure of (6a-hydroxy-3,6,9-trimethylidene-2-oxo-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-8-yl) 2-methylbutanoate 2D Structure of (6a-hydroxy-3,6,9-trimethylidene-2-oxo-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-8-yl) 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/97f17740-859e-11ee-9ab3-5ff7379ea403.jpg)
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 | 97.69% | 97.25% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.75% | 94.45% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.80% | 91.11% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.10% | 96.38% |
CHEMBL2581 | P07339 | Cathepsin D | 90.11% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.93% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.17% | 95.56% |
CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 87.84% | 98.75% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.93% | 96.47% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.76% | 96.09% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.92% | 99.23% |
CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.28% | 95.71% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.56% | 91.24% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.49% | 95.71% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.44% | 92.62% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.59% | 97.14% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.34% | 95.89% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.01% | 93.56% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 81.47% | 97.79% |
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.
Rhodanthe moschata |
PubChem | 14262458 |
LOTUS | LTS0122463 |
wikiData | Q105134084 |