11-Demethoxy-12-hydroxy-3-epi-myrtoidine
| Internal ID | fd4583ee-2f37-46ff-9be0-854d08b59af8 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | (1R,5S,7R,15R,16S)-17-acetyl-19-hydroxy-4-methyl-10,13-dioxa-4,17-diazahexacyclo[14.7.0.01,5.07,15.08,12.018,23]tricosa-8(12),18(23),19,21-tetraen-9-one |
| SMILES (Canonical) | CC(=O)N1C2C3COC4=C(C3CC5C2(CCN5C)C6=C1C(=CC=C6)O)C(=O)OC4 |
| SMILES (Isomeric) | CC(=O)N1[C@H]2[C@@H]3COC4=C([C@@H]3C[C@H]5[C@@]2(CCN5C)C6=C1C(=CC=C6)O)C(=O)OC4 |
| InChI | InChI=1S/C22H24N2O5/c1-11(25)24-19-14(4-3-5-15(19)26)22-6-7-23(2)17(22)8-12-13(20(22)24)9-28-16-10-29-21(27)18(12)16/h3-5,12-13,17,20,26H,6-10H2,1-2H3/t12-,13-,17+,20+,22-/m1/s1 |
| InChI Key | KFAHCTHASDGJBX-YRMRWDKOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H24N2O5 |
| Molecular Weight | 396.40 g/mol |
| Exact Mass | 396.16852187 g/mol |
| Topological Polar Surface Area (TPSA) | 79.30 Ų |
| XlogP | 1.00 |
| (1R,5S,7R,15R,16S)-17-acetyl-19-hydroxy-4-methyl-10,13-dioxa-4,17-diazahexacyclo[14.7.0.01,5.07,15.08,12.018,23]tricosa-8(12),18(23),19,21-tetraen-9-one |
| furo[3',4':5,6]pyrano[3,4-a]pyrrolo[2,3-d]carbazol-3(1H)-one, 12-acetyl-3b,4,4a,5,6,7,12,12a,12b,13-decahydro-11-hydroxy-5-methyl-, (3bR,4aS,7aR,12aS,12bR)- |
| InChI=1/C22H24N2O5/c1-11(25)24-19-14(4-3-5-15(19)26)22-6-7-23(2)17(22)8-12-13(20(22)24)9-28-16-10-29-21(27)18(12)16/h3-5,12-13,17,20,26H,6-10H2,1-2H3/t12-,13-,17+,20+,22-/m1/s |
| rel-(3bR,4aS,7aR,12aS,12bR)-12-acetyl-11-hydroxy-5-methyl-3b,4,4a,5,6,7,12,12a,12b,13-decahydrofuro[3',4':5,6]pyrano[3,4-a]pyrrolo[2,3-d]carbazol-3(1H)-one |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.59% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.90% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.85% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.96% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.15% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.45% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.91% | 85.14% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.23% | 91.24% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.80% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.60% | 91.19% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.00% | 93.40% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.81% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.43% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.25% | 89.00% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 83.06% | 91.38% |
| CHEMBL238 | Q01959 | Dopamine transporter | 83.04% | 95.88% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.03% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.52% | 95.89% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 82.44% | 80.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.13% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.07% | 90.00% |
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.
| Strychnos diplotricha |
| PubChem | 637070 |
| LOTUS | LTS0187363 |
| wikiData | Q105140280 |