3-methoxy-17-(4-methoxy-6-methyl-5-methylideneheptan-2-yl)-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
| Internal ID | 4e178513-d0fb-4097-ac1e-36014884144c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 3-methoxy-17-(4-methoxy-6-methyl-5-methylideneheptan-2-yl)-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene |
| SMILES (Canonical) | CC(C)C(=C)C(CC(C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)OC)C)C)C)OC |
| SMILES (Isomeric) | CC(C)C(=C)C(CC(C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)OC)C)C)C)OC |
| InChI | InChI=1S/C33H56O2/c1-21(2)23(4)27(34-10)20-22(3)24-14-18-33(9)26-12-13-28-30(5,6)29(35-11)16-17-31(28,7)25(26)15-19-32(24,33)8/h21-22,24,27-29H,4,12-20H2,1-3,5-11H3 |
| InChI Key | SUYKKJYITPEKHL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H56O2 |
| Molecular Weight | 484.80 g/mol |
| Exact Mass | 484.42803102 g/mol |
| Topological Polar Surface Area (TPSA) | 18.50 Ų |
| XlogP | 9.20 |
| There are no found synonyms. |
![2D Structure of 3-methoxy-17-(4-methoxy-6-methyl-5-methylideneheptan-2-yl)-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene](https://plantaedb.com/storage/docs/compounds/2023/11/aedaeda0-856f-11ee-b716-575aca934d1d.jpg "2D Structure of 3-methoxy-17-(4-methoxy-6-methyl-5-methylideneheptan-2-yl)-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene")
| 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 | 97.98% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.84% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 93.76% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.82% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.38% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.69% | 92.62% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 90.67% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.66% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.62% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.78% | 90.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.76% | 95.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.13% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.95% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.03% | 95.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.56% | 95.93% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.42% | 100.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.35% | 99.18% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.23% | 97.93% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.07% | 91.49% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.04% | 97.14% |
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.
| Amentotaxus formosana |
| PubChem | 73198179 |
| LOTUS | LTS0210759 |
| wikiData | Q105261678 |