[(2R,4aR,7R,8aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-2-yl] N-(2-hydroxyethylcarbamoyl)carbamate
| Internal ID | 3e55fa44-17b1-46a2-a64a-ba3238788f89 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | [(2R,4aR,7R,8aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-2-yl] N-(2-hydroxyethylcarbamoyl)carbamate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H38N2O4/c1-6-23(4)11-9-17-16(15-23)7-8-18-22(2,3)19(10-12-24(17,18)5)30-21(29)26-20(28)25-13-14-27/h6,9,16,18-19,27H,1,7-8,10-15H2,2-5H3,(H2,25,26,28,29)/t16-,18?,19+,23+,24-/m0/s1 |
| InChI Key | DEUAMKIXCAXPMV-ZOBYCIPQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H38N2O4 |
| Molecular Weight | 418.60 g/mol |
| Exact Mass | 418.28315770 g/mol |
| Topological Polar Surface Area (TPSA) | 87.70 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of [(2R,4aR,7R,8aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-2-yl] N-(2-hydroxyethylcarbamoyl)carbamate](https://plantaedb.com/storage/docs/compounds/2023/11/f7824d20-869c-11ee-9644-7d9615e7319c.jpg "2D Structure of [(2R,4aR,7R,8aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-2-yl] N-(2-hydroxyethylcarbamoyl)carbamate")
| 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 | 98.28% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.61% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.28% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.57% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.92% | 90.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.99% | 83.82% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.79% | 95.50% |
| CHEMBL5028 | O14672 | ADAM10 | 84.64% | 97.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.27% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.17% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.76% | 90.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.08% | 91.24% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.90% | 89.67% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.54% | 91.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.00% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.19% | 91.07% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.99% | 94.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.98% | 95.56% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.43% | 80.00% |
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 | 163187922 |
| LOTUS | LTS0129749 |
| wikiData | Q104977528 |