N,N-dimethyl-2-[4-[(5-methyl-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadec-12-en-12-yl)methoxy]phenyl]ethanamine
| Internal ID | 6c62e8de-025b-4bcf-8222-2dc7a504070e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Villanovane, atisane, trachylobane or helvifulvane diterpenoids > Atisane diterpenoids |
| IUPAC Name | N,N-dimethyl-2-[4-[(5-methyl-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadec-12-en-12-yl)methoxy]phenyl]ethanamine |
| SMILES (Canonical) | CC12CCCC34C1C5CC67C3CC(CC6C4N5C2)C(=C7)COC8=CC=C(C=C8)CCN(C)C |
| SMILES (Isomeric) | CC12CCCC34C1C5CC67C3CC(CC6C4N5C2)C(=C7)COC8=CC=C(C=C8)CCN(C)C |
| InChI | InChI=1S/C30H40N2O/c1-28-10-4-11-30-25-14-20-13-23-27(30)32(18-28)24(26(28)30)16-29(23,25)15-21(20)17-33-22-7-5-19(6-8-22)9-12-31(2)3/h5-8,15,20,23-27H,4,9-14,16-18H2,1-3H3 |
| InChI Key | GWMRACWLCOWLPK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H40N2O |
| Molecular Weight | 444.70 g/mol |
| Exact Mass | 444.314063904 g/mol |
| Topological Polar Surface Area (TPSA) | 15.70 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of N,N-dimethyl-2-[4-[(5-methyl-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadec-12-en-12-yl)methoxy]phenyl]ethanamine](https://plantaedb.com/storage/docs/compounds/2023/11/f0653a80-8569-11ee-a619-3172d0b5d70a.jpg "2D Structure of N,N-dimethyl-2-[4-[(5-methyl-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadec-12-en-12-yl)methoxy]phenyl]ethanamine")
| 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 | 99.19% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.72% | 97.09% |
| CHEMBL240 | Q12809 | HERG | 97.48% | 89.76% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.19% | 97.25% |
| CHEMBL228 | P31645 | Serotonin transporter | 95.50% | 95.51% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.86% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.56% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.45% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.43% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.32% | 95.93% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.05% | 94.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 90.23% | 99.35% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.77% | 90.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.15% | 97.93% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.81% | 90.08% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 86.50% | 90.71% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 85.30% | 92.67% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.20% | 93.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 85.01% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.97% | 97.14% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.45% | 95.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.20% | 94.45% |
| CHEMBL4330 | Q9NS75 | Cysteinyl leukotriene receptor 2 | 83.81% | 98.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.12% | 91.11% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.49% | 95.83% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.11% | 95.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.99% | 99.17% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.63% | 92.68% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.14% | 95.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.13% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.87% | 97.79% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.05% | 96.37% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 80.05% | 96.25% |
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.
| Aconitum seravschanicum |
| PubChem | 13892203 |
| LOTUS | LTS0050210 |
| wikiData | Q105022537 |