[4,4,8,10,14-pentamethyl-17-(6-methyl-5-methylidenehept-1-en-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
| Internal ID | e6da958a-a704-467f-bd44-8ea4ce2f36ac |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [4,4,8,10,14-pentamethyl-17-(6-methyl-5-methylidenehept-1-en-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| SMILES (Canonical) | CC(C)C(=C)CCC(=C)C1CCC2(C1CCC3C2(CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C |
| SMILES (Isomeric) | CC(C)C(=C)CCC(=C)C1CCC2(C1CCC3C2(CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C |
| InChI | InChI=1S/C33H54O2/c1-21(2)22(3)11-12-23(4)25-15-19-32(9)26(25)13-14-28-31(8)18-17-29(35-24(5)34)30(6,7)27(31)16-20-33(28,32)10/h21,25-29H,3-4,11-20H2,1-2,5-10H3 |
| InChI Key | OBOXEVNJWYYYCT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H54O2 |
| Molecular Weight | 482.80 g/mol |
| Exact Mass | 482.412380961 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 11.10 |
| There are no found synonyms. |
![2D Structure of [4,4,8,10,14-pentamethyl-17-(6-methyl-5-methylidenehept-1-en-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/f80fbee0-8466-11ee-afc1-59f4da7a65bf.jpg "2D Structure of [4,4,8,10,14-pentamethyl-17-(6-methyl-5-methylidenehept-1-en-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.19% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.73% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.74% | 97.25% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 93.42% | 92.98% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.08% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 92.92% | 89.76% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.16% | 96.47% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.82% | 82.69% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.91% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.94% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.29% | 96.61% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.92% | 92.62% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 84.57% | 96.09% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.99% | 99.18% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.78% | 97.09% |
| CHEMBL5028 | O14672 | ADAM10 | 82.31% | 97.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.14% | 94.75% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 81.83% | 85.83% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.54% | 91.24% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 81.54% | 89.92% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.51% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.30% | 95.89% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.24% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.12% | 99.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.92% | 91.07% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.84% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.42% | 100.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.29% | 95.71% |
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.
| Litsea sericea |
| PubChem | 162996329 |
| LOTUS | LTS0083653 |
| wikiData | Q105189101 |