Lochnerine
| Internal ID | 36577cdc-9d79-47e0-8837-7230bb9df8c8 |
| Taxonomy | Alkaloids and derivatives > Macroline alkaloids |
| IUPAC Name | [(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-13-yl]methanol |
| SMILES (Canonical) | CC=C1CN2C3CC1C(C2CC4=C3NC5=C4C=C(C=C5)OC)CO |
| SMILES (Isomeric) | C/C=C\1/CN2[C@H]3C[C@@H]1[C@H]([C@@H]2CC4=C3NC5=C4C=C(C=C5)OC)CO |
| InChI | InChI=1S/C20H24N2O2/c1-3-11-9-22-18-8-15-14-6-12(24-2)4-5-17(14)21-20(15)19(22)7-13(11)16(18)10-23/h3-6,13,16,18-19,21,23H,7-10H2,1-2H3/b11-3-/t13-,16+,18-,19-/m0/s1 |
| InChI Key | YTIVOMMYBBBYFH-BOPWJTLDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H24N2O2 |
| Molecular Weight | 324.40 g/mol |
| Exact Mass | 324.183778013 g/mol |
| Topological Polar Surface Area (TPSA) | 48.50 Ų |
| XlogP | 2.10 |
| 522-47-4 |
| Sarpagan-17-ol, 10-methoxy- |
| (+)-Lochnerine |
| [(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-13-yl]methanol |
| CHEMBL484153 |
| DTXSID601318507 |
| HY-N3374 |
| BDBM50480330 |
| AKOS040744703 |
| [(E)-ethylidene(methoxy)[?]yl]methanol |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.07% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.77% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.06% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.91% | 97.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 94.01% | 86.92% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.39% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.36% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.25% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.91% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.80% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.49% | 98.95% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.26% | 91.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.05% | 99.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.02% | 93.31% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.89% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.88% | 90.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.59% | 98.59% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 82.48% | 88.48% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.28% | 97.05% |
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.
| Alstonia angustifolia |
| Alstonia macrophylla |
| Catharanthus roseus |
| Rauvolfia bahiensis |
| Rauvolfia biauriculata |
| Rauvolfia sprucei |
| PubChem | 6436184 |
| LOTUS | LTS0064643 |
| wikiData | Q105361524 |