(9b-Hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl) 9-hydroxydeca-2,4,6-trienoate
| Internal ID | e377d256-167d-457f-826b-0413d0ab6a47 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl) 9-hydroxydeca-2,4,6-trienoate |
| SMILES (Canonical) | CC(CC=CC=CC=CC(=O)OC1C=C2COC(=O)C2(C3(C1C(CCC3)(C)C)C)O)O |
| SMILES (Isomeric) | CC(CC=CC=CC=CC(=O)OC1C=C2COC(=O)C2(C3(C1C(CCC3)(C)C)C)O)O |
| InChI | InChI=1S/C25H34O6/c1-17(26)11-8-6-5-7-9-12-20(27)31-19-15-18-16-30-22(28)25(18,29)24(4)14-10-13-23(2,3)21(19)24/h5-9,12,15,17,19,21,26,29H,10-11,13-14,16H2,1-4H3 |
| InChI Key | ZHQUHDHFPDBIHU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H34O6 |
| Molecular Weight | 430.50 g/mol |
| Exact Mass | 430.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of (9b-Hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl) 9-hydroxydeca-2,4,6-trienoate](https://plantaedb.com/storage/docs/compounds/2023/11/1ea55f00-841a-11ee-b45e-898059693bcd.jpg "2D Structure of (9b-Hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl) 9-hydroxydeca-2,4,6-trienoate")
| 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 | 96.15% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.68% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.65% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.99% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.39% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.31% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.34% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.74% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.95% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.84% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.62% | 85.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.86% | 91.07% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.82% | 92.62% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.07% | 97.28% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.67% | 95.71% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.30% | 89.34% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.29% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.13% | 90.08% |
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 | 75068993 |
| LOTUS | LTS0085805 |
| wikiData | Q104202411 |