17-[5-(1-Hydroxy-2-methylprop-2-enyl)-2-methoxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
| Internal ID | d2fde1c0-40a0-459b-8f18-ac0aefd47366 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 17-[5-(1-hydroxy-2-methylprop-2-enyl)-2-methoxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one |
| SMILES (Canonical) | CC(=C)C(C1CC(C(O1)OC)C2CCC3(C2(CCC4C3=CCC5C4(CCC(=O)C5(C)C)C)C)C)O |
| SMILES (Isomeric) | CC(=C)C(C1CC(C(O1)OC)C2CCC3(C2(CCC4C3=CCC5C4(CCC(=O)C5(C)C)C)C)C)O |
| InChI | InChI=1S/C31H48O4/c1-18(2)26(33)23-17-19(27(34-8)35-23)20-11-15-31(7)22-9-10-24-28(3,4)25(32)13-14-29(24,5)21(22)12-16-30(20,31)6/h9,19-21,23-24,26-27,33H,1,10-17H2,2-8H3 |
| InChI Key | OXVFHOLNIYZIRR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H48O4 |
| Molecular Weight | 484.70 g/mol |
| Exact Mass | 484.35526001 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of 17-[5-(1-Hydroxy-2-methylprop-2-enyl)-2-methoxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/10948a80-86bd-11ee-a2d4-4ff5ebc9ead8.jpg "2D Structure of 17-[5-(1-Hydroxy-2-methylprop-2-enyl)-2-methoxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.43% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.70% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.45% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.79% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.46% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.09% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.09% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.51% | 99.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.80% | 82.69% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.70% | 96.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.58% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.31% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.91% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.75% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.58% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.77% | 97.14% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.08% | 96.39% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.86% | 92.94% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.71% | 94.78% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.65% | 90.71% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.36% | 96.43% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.27% | 91.07% |
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.
| Chisocheton cumingianus subsp. balansae |
| Melia azedarach |
| PubChem | 163025967 |
| LOTUS | LTS0199752 |
| wikiData | Q105202954 |