Celtisine
| Internal ID | ef29ce14-b45a-4111-8ed1-5e000e91d541 |
| Taxonomy | Alkaloids and derivatives > Cularin alkaloids and derivatives |
| IUPAC Name | (10S)-6-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene-5,17-diol |
| SMILES (Canonical) | CN1CCC2=C3C1CC4=CC(=C(C=C4OC3=C(C=C2)O)O)OC |
| SMILES (Isomeric) | CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4OC3=C(C=C2)O)O)OC |
| InChI | InChI=1S/C18H19NO4/c1-19-6-5-10-3-4-13(20)18-17(10)12(19)7-11-8-16(22-2)14(21)9-15(11)23-18/h3-4,8-9,12,20-21H,5-7H2,1-2H3/t12-/m0/s1 |
| InChI Key | VRFVDWALYCNYTM-LBPRGKRZSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C18H19NO4 |
| Molecular Weight | 313.30 g/mol |
| Exact Mass | 313.13140809 g/mol |
| Topological Polar Surface Area (TPSA) | 62.20 Ų |
| XlogP | 2.70 |
| 91106-25-1 |
| CHEMBL452776 |
| (10S)-6-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene-5,17-diol |
| DTXSID50919956 |
| BDBM50292460 |
| 10-Methoxy-1-methyl-2,3,12,12a-tetrahydro-1H-[1]benzoxepino[2,3,4-ij]isoquinoline-6,9-diol |
| 1H-(1)Benzoxepino(2,3,4-ij)isoquinoline-6,9-diol, 2,3,12,12a-tetrahydro-10-methoxy-1-methyl-, (S)- |
| 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 | 99.17% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 98.12% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.16% | 91.11% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 93.85% | 95.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.18% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.90% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.69% | 85.14% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 90.31% | 91.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.99% | 92.94% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 89.95% | 91.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.38% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.79% | 94.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.61% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.38% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.27% | 98.95% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.33% | 91.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.23% | 90.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.94% | 93.65% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.82% | 91.49% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 83.31% | 90.95% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 83.06% | 96.76% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.99% | 96.86% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.90% | 90.71% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 81.63% | 91.96% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.60% | 98.75% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.38% | 95.78% |
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.
| Sarcocapnos crassifolia |
| Sarcocapnos enneaphylla |
| PubChem | 146299 |
| LOTUS | LTS0252921 |
| wikiData | Q82892581 |