3-methoxy-4,4,10,13,14-pentamethyl-17-(4,5,5,6-tetramethylhept-6-en-2-yl)-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
| Internal ID | b266569a-e78e-4d0d-9c80-2f39add987b8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 3-methoxy-4,4,10,13,14-pentamethyl-17-(4,5,5,6-tetramethylhept-6-en-2-yl)-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H58O/c1-22(2)30(5,6)24(4)21-23(3)25-15-19-34(11)27-13-14-28-31(7,8)29(35-12)17-18-32(28,9)26(27)16-20-33(25,34)10/h16,23-25,27-29H,1,13-15,17-21H2,2-12H3 |
| InChI Key | MUSSAWVTYPNJCN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H58O |
| Molecular Weight | 482.80 g/mol |
| Exact Mass | 482.448766469 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 11.20 |
| There are no found synonyms. |
![2D Structure of 3-methoxy-4,4,10,13,14-pentamethyl-17-(4,5,5,6-tetramethylhept-6-en-2-yl)-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene](https://plantaedb.com/storage/docs/compounds/2023/11/35b6d680-856e-11ee-8fec-2ff090171af9.jpg "2D Structure of 3-methoxy-4,4,10,13,14-pentamethyl-17-(4,5,5,6-tetramethylhept-6-en-2-yl)-2,3,5,6,7,8,12,15,16,17-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.55% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.95% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.27% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.06% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.83% | 95.89% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.44% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.58% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.31% | 92.94% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.53% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.49% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.97% | 92.62% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.61% | 89.05% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.61% | 97.14% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.59% | 91.03% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.24% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.81% | 95.56% |
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.
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| There are no matching plants. |
| PubChem | 14219469 |
| LOTUS | LTS0129565 |
| wikiData | Q105172702 |