9-Hydroxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,5,6,7,7a,9,10,11,11b,12-dodecahydrocyclopenta[a]chrysen-4-one
| Internal ID | 9313f2d1-b758-4136-bd06-f6268a90bfba |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,5,6,7,7a,9,10,11,11b,12-dodecahydrocyclopenta[a]chrysen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H44O2/c1-17(2)18-8-9-19-21(30)16-29(7)20(25(18)19)10-11-23-27(5)14-13-24(31)26(3,4)22(27)12-15-28(23,29)6/h10,17-18,22-24,31H,8-9,11-16H2,1-7H3 |
| InChI Key | KLTLHPPOKSEAFC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H44O2 |
| Molecular Weight | 424.70 g/mol |
| Exact Mass | 424.334130642 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of 9-Hydroxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,5,6,7,7a,9,10,11,11b,12-dodecahydrocyclopenta[a]chrysen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/ed579d80-8679-11ee-bf93-9d5e8d09cf4e.jpg "2D Structure of 9-Hydroxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,5,6,7,7a,9,10,11,11b,12-dodecahydrocyclopenta[a]chrysen-4-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.28% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.88% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.76% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.57% | 94.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.53% | 82.69% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.80% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.95% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.94% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.25% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.91% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.83% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.26% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.73% | 93.03% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.12% | 96.38% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.97% | 90.24% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.71% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.94% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.02% | 96.43% |
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.
| Koelpinia linearis |
| PubChem | 162933930 |
| LOTUS | LTS0073240 |
| wikiData | Q105142809 |