Moschamindole
| Internal ID | f3a3a888-4cc1-431c-8d24-27df6f25fa25 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | (3R,4R)-3-(4-hydroxy-3-methoxyphenyl)-2-oxa-6,11-diazatetracyclo[7.5.2.04,15.012,16]hexadeca-1(15),9,12(16),13-tetraen-5-one |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2C3C4=C(O2)C=CC5=C4C(=CN5)CCNC3=O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)[C@H]2[C@H]3C4=C(O2)C=CC5=C4C(=CN5)CCNC3=O)O |
| InChI | InChI=1S/C20H18N2O4/c1-25-15-8-10(2-4-13(15)23)19-18-17-14(26-19)5-3-12-16(17)11(9-22-12)6-7-21-20(18)24/h2-5,8-9,18-19,22-23H,6-7H2,1H3,(H,21,24)/t18-,19+/m1/s1 |
| InChI Key | GEJUXZYANAYHRZ-MOPGFXCFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H18N2O4 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.12665706 g/mol |
| Topological Polar Surface Area (TPSA) | 83.60 Ų |
| XlogP | 2.20 |
| CHEBI:175473 |
| DTXSID001105344 |
| (3R,4R)-3-(4-hydroxy-3-methoxyphenyl)-2-oxa-6,11-diazatetracyclo[7.5.2.04,15.012,16]hexadeca-1(15),9,12(16),13-tetraen-5-one |
| {2-(3-methoxy-4-hydroxyphenyl)}-dihydrofuro[kl]-1H- pyrrolo[fg]-2-oxo-1,2,3,4,5,6-hexahydro-3-benzazocine |
| 99615-94-8 |
| rel-(2R,2aR)-2,2a,4,5,6,8-Hexahydro-2-(4-hydroxy-3-methoxyphenyl)-3H-furo[2,3,4-kl]pyrrolo[4,3,2-fg][3]benzazocin-3-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.73% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.41% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.07% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.21% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.97% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.78% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.66% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.48% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.52% | 98.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.70% | 92.94% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 89.17% | 95.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.49% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.95% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.42% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.20% | 99.23% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 87.06% | 96.39% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.85% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.69% | 98.95% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 86.22% | 95.55% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.99% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.18% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.51% | 99.15% |
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.
| Campylospermum flavum |
| PubChem | 25233004 |
| LOTUS | LTS0167131 |
| wikiData | Q105007191 |