10-Hydroxy-4,5,9,13-tetramethyl-19-propan-2-yl-23-oxahexacyclo[15.4.2.01,18.04,17.05,14.08,13]tricosan-22-one
| Internal ID | c50fea8e-3ae2-4a4c-a1e6-7b31df537b87 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 10-hydroxy-4,5,9,13-tetramethyl-19-propan-2-yl-23-oxahexacyclo[15.4.2.01,18.04,17.05,14.08,13]tricosan-22-one |
| SMILES (Canonical) | CC1C2CCC3(C(C2(CCC1O)C)CCC45C3(CCC6(C4C(CC6)C(C)C)C(=O)O5)C)C |
| SMILES (Isomeric) | CC1C2CCC3(C(C2(CCC1O)C)CCC45C3(CCC6(C4C(CC6)C(C)C)C(=O)O5)C)C |
| InChI | InChI=1S/C29H46O3/c1-17(2)19-7-13-28-16-15-27(6)26(5)12-8-20-18(3)21(30)9-11-25(20,4)22(26)10-14-29(27,23(19)28)32-24(28)31/h17-23,30H,7-16H2,1-6H3 |
| InChI Key | BEMZMBLHACVQAN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H46O3 |
| Molecular Weight | 442.70 g/mol |
| Exact Mass | 442.34469533 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of 10-Hydroxy-4,5,9,13-tetramethyl-19-propan-2-yl-23-oxahexacyclo[15.4.2.01,18.04,17.05,14.08,13]tricosan-22-one](https://plantaedb.com/storage/docs/compounds/2023/11/26336500-879f-11ee-b61a-a97c3cce6776.jpg "2D Structure of 10-Hydroxy-4,5,9,13-tetramethyl-19-propan-2-yl-23-oxahexacyclo[15.4.2.01,18.04,17.05,14.08,13]tricosan-22-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.17% | 96.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.01% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.75% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.33% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.96% | 96.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 90.70% | 96.43% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.42% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.66% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.63% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.32% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.50% | 97.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.40% | 94.45% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 86.36% | 95.92% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.67% | 90.08% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.46% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.26% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.74% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.33% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.66% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.59% | 96.61% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.37% | 98.03% |
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.
| Caltha palustris |
| PubChem | 162890181 |
| LOTUS | LTS0025977 |
| wikiData | Q104933209 |