Apparicine
| Internal ID | 2f1f5024-a143-4a85-8b46-f31362cd021d |
| Taxonomy | Alkaloids and derivatives > Vallesaman alkaloids |
| IUPAC Name | (13S,14E)-14-ethylidene-12-methylidene-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene |
| SMILES (Canonical) | CC=C1CN2CCC1C(=C)C3=C(C2)C4=CC=CC=C4N3 |
| SMILES (Isomeric) | C/C=C\1/CN2CC[C@@H]1C(=C)C3=C(C2)C4=CC=CC=C4N3 |
| InChI | InChI=1S/C18H20N2/c1-3-13-10-20-9-8-14(13)12(2)18-16(11-20)15-6-4-5-7-17(15)19-18/h3-7,14,19H,2,8-11H2,1H3/b13-3-/t14-/m1/s1 |
| InChI Key | LCVACABZTLIWCE-CRAFIKPXSA-N |
| Popularity | 12 references in papers |
| Molecular Formula | C18H20N2 |
| Molecular Weight | 264.40 g/mol |
| Exact Mass | 264.162648646 g/mol |
| Topological Polar Surface Area (TPSA) | 19.00 Ų |
| XlogP | 2.70 |
| 2122-36-3 |
| (-)-Apparicine |
| CHEBI:78 |
| (13S,14E)-14-ethylidene-12-methylidene-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene |
| [5S,4E,(-)]-4-Ethylidene-1,3,4,5,6,7-hexahydro-6-methylene-2alpha,5-ethano-2H-azocino[4,3-b]indole |
| CHEMBL285671 |
| C09036 |
| SCHEMBL22836776 |
| DTXSID30415108 |
| BDBM50593481 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.20% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.10% | 98.95% |
| CHEMBL240 | Q12809 | HERG | 93.48% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.53% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.46% | 93.99% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 90.98% | 88.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.59% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.64% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.94% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.88% | 95.89% |
| CHEMBL228 | P31645 | Serotonin transporter | 84.55% | 95.51% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.31% | 89.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.19% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.74% | 94.45% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 81.89% | 90.71% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.37% | 96.25% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 80.42% | 96.42% |
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.
| Aspidosperma eburneum |
| Ochrosia elliptica |
| Ochrosia moorei |
| Tabernaemontana calcarea |
| Tabernaemontana ciliata |
| Tabernaemontana citrifolia |
| Tabernaemontana dichotoma |
| Tabernaemontana elegans |
| Vallesia glabra |
| PubChem | 5281349 |
| LOTUS | LTS0123818 |
| wikiData | Q27105225 |