15-(1-aminoethyl)-N,7,7,12,16-pentamethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine
| Internal ID | 29daf110-abfe-450c-a2d5-a6409fbd9110 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Buxus alkaloids |
| IUPAC Name | 15-(1-aminoethyl)-N,7,7,12,16-pentamethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H42N2/c1-16(26)19-12-14-25(5)21-9-8-20-17(7-10-22(27-6)23(20,2)3)15-18(21)11-13-24(19,25)4/h11,15-16,19-22,27H,7-10,12-14,26H2,1-6H3 |
| InChI Key | UJCULRQYCJZJQR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H42N2 |
| Molecular Weight | 370.60 g/mol |
| Exact Mass | 370.334799348 g/mol |
| Topological Polar Surface Area (TPSA) | 38.10 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of 15-(1-aminoethyl)-N,7,7,12,16-pentamethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine](https://plantaedb.com/storage/docs/compounds/2023/11/15-1-aminoethyl-n771216-pentamethyltetracyclo97003801216octadeca-1182-dien-6-amine.jpg "2D Structure of 15-(1-aminoethyl)-N,7,7,12,16-pentamethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine")
| 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 | 96.66% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.08% | 97.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.94% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.59% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.13% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.78% | 90.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.76% | 92.86% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.57% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.52% | 94.45% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 84.09% | 88.81% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.91% | 83.82% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 83.67% | 95.58% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.80% | 95.56% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.10% | 91.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.93% | 98.95% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 81.70% | 97.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.43% | 97.25% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.37% | 85.30% |
| CHEMBL268 | P43235 | Cathepsin K | 81.30% | 96.85% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 80.78% | 95.42% |
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.
| Buxus sempervirens |
| PubChem | 85055214 |
| LOTUS | LTS0071974 |
| wikiData | Q105273867 |