3,11-Dihydroxy-4,4,8,10,14-pentamethyl-17-(6-methyl-4-oxohepta-2,5-dien-2-yl)-1,3,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-one
| Internal ID | 87f4362c-532f-4413-bb10-0174c5796f04 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 3,11-dihydroxy-4,4,8,10,14-pentamethyl-17-(6-methyl-4-oxohepta-2,5-dien-2-yl)-1,3,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-one |
| SMILES (Canonical) | CC(=CC(=O)C=C(C)C1CCC2(C1CC(C3C2(CCC4C3(CC(=O)C(C4(C)C)O)C)C)O)C)C |
| SMILES (Isomeric) | CC(=CC(=O)C=C(C)C1CCC2(C1CC(C3C2(CCC4C3(CC(=O)C(C4(C)C)O)C)C)O)C)C |
| InChI | InChI=1S/C30H46O4/c1-17(2)13-19(31)14-18(3)20-9-11-29(7)21(20)15-22(32)25-28(6)16-23(33)26(34)27(4,5)24(28)10-12-30(25,29)8/h13-14,20-22,24-26,32,34H,9-12,15-16H2,1-8H3 |
| InChI Key | SXEFEMOQHIIHGR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H46O4 |
| Molecular Weight | 470.70 g/mol |
| Exact Mass | 470.33960994 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
![2D Structure of 3,11-Dihydroxy-4,4,8,10,14-pentamethyl-17-(6-methyl-4-oxohepta-2,5-dien-2-yl)-1,3,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/5b4cd0e0-84b2-11ee-95d0-3dc2c2218ccd.jpg "2D Structure of 3,11-Dihydroxy-4,4,8,10,14-pentamethyl-17-(6-methyl-4-oxohepta-2,5-dien-2-yl)-1,3,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.89% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.76% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.67% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.26% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.68% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.87% | 82.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.36% | 91.19% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.20% | 96.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.88% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.47% | 97.09% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.30% | 95.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.85% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.73% | 98.95% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.48% | 93.04% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.24% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.94% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.52% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.38% | 90.71% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.28% | 97.05% |
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.
| Viburnum dilatatum |
| PubChem | 85172893 |
| LOTUS | LTS0076052 |
| wikiData | Q105263071 |