7-Hydroxy-4-(hydroxymethyl)-4,8,10,13-tetramethyl-17-[5-(2-methylprop-1-enyl)oxolan-3-yl]-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-one
| Internal ID | 93be2cd0-7adc-49a4-a653-f8d7c677654b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids |
| IUPAC Name | 7-hydroxy-4-(hydroxymethyl)-4,8,10,13-tetramethyl-17-[5-(2-methylprop-1-enyl)oxolan-3-yl]-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-one |
| SMILES (Canonical) | CC(=CC1CC(CO1)C2CC=C3C2(CCC4C3(C(CC5C4(CCC(=O)C5(C)CO)C)O)C)C)C |
| SMILES (Isomeric) | CC(=CC1CC(CO1)C2CC=C3C2(CCC4C3(C(CC5C4(CCC(=O)C5(C)CO)C)O)C)C)C |
| InChI | InChI=1S/C30H46O4/c1-18(2)13-20-14-19(16-34-20)21-7-8-22-27(21,3)11-9-23-28(4)12-10-25(32)29(5,17-31)24(28)15-26(33)30(22,23)6/h8,13,19-21,23-24,26,31,33H,7,9-12,14-17H2,1-6H3 |
| InChI Key | QZOBUJLLTRNCHG-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) | 66.80 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of 7-Hydroxy-4-(hydroxymethyl)-4,8,10,13-tetramethyl-17-[5-(2-methylprop-1-enyl)oxolan-3-yl]-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/75df8960-8635-11ee-bf9e-370b177e07fe.jpg "2D Structure of 7-Hydroxy-4-(hydroxymethyl)-4,8,10,13-tetramethyl-17-[5-(2-methylprop-1-enyl)oxolan-3-yl]-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.37% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.68% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 93.42% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.00% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.65% | 97.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 89.23% | 89.05% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.62% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.58% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.45% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.22% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.41% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.27% | 82.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.25% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.08% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.80% | 96.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.77% | 90.71% |
| CHEMBL5028 | O14672 | ADAM10 | 81.43% | 97.50% |
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.
| Dysoxylum roseum |
| PubChem | 163192587 |
| LOTUS | LTS0208846 |
| wikiData | Q105232202 |