(1R,3S,6R,8S,11R,12S,15S,16R)-N,N,7,7,12,16-hexamethyl-15-[(1R)-1-(methylamino)ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-amine
| Internal ID | d3d18439-1f7f-40f4-9770-99db9032929d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1R,3S,6R,8S,11R,12S,15S,16R)-N,N,7,7,12,16-hexamethyl-15-[(1R)-1-(methylamino)ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-amine |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H48N2/c1-18(28-6)19-11-13-25(5)21-10-9-20-23(2,3)22(29(7)8)12-14-26(20)17-27(21,26)16-15-24(19,25)4/h18-22,28H,9-17H2,1-8H3/t18-,19-,20-,21-,22-,24-,25+,26+,27-/m1/s1 |
| InChI Key | RXSFCOUBKQSZFV-CNIFTNMMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H48N2 |
| Molecular Weight | 400.70 g/mol |
| Exact Mass | 400.381749540 g/mol |
| Topological Polar Surface Area (TPSA) | 15.30 Ų |
| XlogP | 7.00 |
| There are no found synonyms. |
![2D Structure of (1R,3S,6R,8S,11R,12S,15S,16R)-N,N,7,7,12,16-hexamethyl-15-[(1R)-1-(methylamino)ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-amine](https://plantaedb.com/storage/docs/compounds/2023/11/f80d66a0-8695-11ee-a0f5-f9e4f234c3ef.jpg "2D Structure of (1R,3S,6R,8S,11R,12S,15S,16R)-N,N,7,7,12,16-hexamethyl-15-[(1R)-1-(methylamino)ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-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 |
|---|---|---|---|---|
| CHEMBL3837 | P07711 | Cathepsin L | 95.87% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.24% | 96.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 90.81% | 90.24% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 89.96% | 95.58% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.56% | 97.93% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.35% | 97.79% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 88.91% | 92.98% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.71% | 96.38% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 88.51% | 95.34% |
| CHEMBL204 | P00734 | Thrombin | 88.51% | 96.01% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.24% | 91.03% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 87.95% | 83.57% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.85% | 92.86% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.69% | 97.25% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 87.10% | 95.00% |
| CHEMBL268 | P43235 | Cathepsin K | 86.98% | 96.85% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.36% | 92.88% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.25% | 98.75% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 85.49% | 97.47% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.42% | 99.18% |
| CHEMBL4072 | P07858 | Cathepsin B | 85.26% | 93.67% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.62% | 97.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.48% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.44% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.81% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.80% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.33% | 97.14% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 82.10% | 99.17% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.09% | 85.11% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.91% | 94.78% |
| CHEMBL2801 | Q13557 | CaM kinase II delta | 81.87% | 84.49% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.68% | 95.71% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.32% | 98.99% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.27% | 85.31% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 80.28% | 98.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.01% | 97.09% |
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 | 162914529 |
| LOTUS | LTS0128347 |
| wikiData | Q105247268 |