N-[14-(5,6-dimethylhept-3-en-2-yl)-10-formyl-5,19-dihydroxy-2,15-dimethyl-8-oxo-10-pentacyclo[10.5.2.02,7.09,18.015,19]nonadeca-6,9(18)-dienyl]-4,6-dimethyldodeca-2,4-dienamide
| Internal ID | bb19c293-9980-4a47-921f-eebc3c8068b7 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids |
| IUPAC Name | N-[14-(5,6-dimethylhept-3-en-2-yl)-10-formyl-5,19-dihydroxy-2,15-dimethyl-8-oxo-10-pentacyclo[10.5.2.02,7.09,18.015,19]nonadeca-6,9(18)-dienyl]-4,6-dimethyldodeca-2,4-dienamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C45H67NO5/c1-10-11-12-13-14-29(4)23-30(5)15-18-38(49)46-44(27-47)26-33-24-36(32(7)17-16-31(6)28(2)3)43(9)22-20-35-39(45(33,43)51)40(44)41(50)37-25-34(48)19-21-42(35,37)8/h15-18,23,25,27-29,31-36,48,51H,10-14,19-22,24,26H2,1-9H3,(H,46,49) |
| InChI Key | TVFMBZOZGJABCW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C45H67NO5 |
| Molecular Weight | 702.00 g/mol |
| Exact Mass | 701.50192424 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 9.30 |
| There are no found synonyms. |
![2D Structure of N-[14-(5,6-dimethylhept-3-en-2-yl)-10-formyl-5,19-dihydroxy-2,15-dimethyl-8-oxo-10-pentacyclo[10.5.2.02,7.09,18.015,19]nonadeca-6,9(18)-dienyl]-4,6-dimethyldodeca-2,4-dienamide](https://plantaedb.com/storage/docs/compounds/2023/11/bdfe36a0-85b7-11ee-9af5-619fb56a943f.jpg "2D Structure of N-[14-(5,6-dimethylhept-3-en-2-yl)-10-formyl-5,19-dihydroxy-2,15-dimethyl-8-oxo-10-pentacyclo[10.5.2.02,7.09,18.015,19]nonadeca-6,9(18)-dienyl]-4,6-dimethyldodeca-2,4-dienamide")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.47% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.30% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.06% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 97.25% | 82.69% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 95.97% | 98.03% |
| CHEMBL4072 | P07858 | Cathepsin B | 95.22% | 93.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.37% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.04% | 90.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.83% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.22% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.35% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.03% | 97.09% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 91.50% | 85.31% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 91.36% | 97.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.32% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.13% | 95.93% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.05% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.87% | 99.17% |
| CHEMBL268 | P43235 | Cathepsin K | 88.86% | 96.85% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.94% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.77% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.61% | 95.89% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.72% | 98.59% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 86.43% | 94.66% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 86.23% | 96.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.15% | 93.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.93% | 97.29% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.35% | 99.23% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 85.13% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.12% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.92% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.37% | 90.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.98% | 89.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.41% | 97.79% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.22% | 94.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.00% | 93.03% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.55% | 92.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.00% | 86.33% |
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.
| There are no matching plants. |
| PubChem | 74218303 |
| LOTUS | LTS0056227 |
| wikiData | Q104197859 |