9,21-Dihydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-10,23-dione
| Internal ID | de33bd76-c81f-43d8-8c95-cdabbf047bfd |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | 9,21-dihydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-10,23-dione |
| SMILES (Canonical) | CC1CC2C(CCC3(C2(CCC4(C3CCC56C4CCC(C5C)(OC6=O)O)C)C)C)(C(C1=O)O)C |
| SMILES (Isomeric) | CC1CC2C(CCC3(C2(CCC4(C3CCC56C4CCC(C5C)(OC6=O)O)C)C)C)(C(C1=O)O)C |
| InChI | InChI=1S/C29H44O5/c1-16-15-20-25(4,22(31)21(16)30)12-14-26(5)18-7-9-28-17(2)29(33,34-23(28)32)10-8-19(28)24(18,3)11-13-27(20,26)6/h16-20,22,31,33H,7-15H2,1-6H3 |
| InChI Key | QEIFWJNSWAONFY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H44O5 |
| Molecular Weight | 472.70 g/mol |
| Exact Mass | 472.31887450 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of 9,21-Dihydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-10,23-dione](https://plantaedb.com/storage/docs/compounds/2023/11/cdc7ba20-854d-11ee-95ca-854312c7f0ee.jpg "2D Structure of 9,21-Dihydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-10,23-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 | 96.11% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.03% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.68% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.39% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.06% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.01% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.48% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.29% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.28% | 94.75% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.99% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.67% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.44% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.04% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.77% | 96.09% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.92% | 92.88% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.57% | 86.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.15% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.48% | 97.14% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.24% | 85.30% |
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.
| Microtropis triflora |
| PubChem | 162871559 |
| LOTUS | LTS0095276 |
| wikiData | Q105219225 |