2-Methoxy-4-[2-(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl)ethenyl]phenol
| Internal ID | 67a1b233-d905-4def-9feb-a972801ccb7d |
| Taxonomy | Alkaloids and derivatives > Benzophenanthridine alkaloids > Dihydrobenzophenanthridine alkaloids |
| IUPAC Name | 2-methoxy-4-[2-(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl)ethenyl]phenol |
| SMILES (Canonical) | CN1C(C2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6)C=CC7=CC(=C(C=C7)O)OC |
| SMILES (Isomeric) | CN1C(C2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6)C=CC7=CC(=C(C=C7)O)OC |
| InChI | InChI=1S/C29H23NO6/c1-30-21(8-3-16-4-9-22(31)24(11-16)32-2)27-18(7-10-23-29(27)36-15-33-23)19-6-5-17-12-25-26(35-14-34-25)13-20(17)28(19)30/h3-13,21,31H,14-15H2,1-2H3 |
| InChI Key | UPUBAPAANAAZBG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H23NO6 |
| Molecular Weight | 481.50 g/mol |
| Exact Mass | 481.15253745 g/mol |
| Topological Polar Surface Area (TPSA) | 69.60 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of 2-Methoxy-4-[2-(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl)ethenyl]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/f3896d80-8636-11ee-800e-0d3dfc7a1861.jpg "2D Structure of 2-Methoxy-4-[2-(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl)ethenyl]phenol")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.86% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.20% | 91.11% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 97.37% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.17% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.79% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.82% | 86.33% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 94.58% | 80.78% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 94.06% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.94% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.44% | 96.09% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 92.04% | 97.31% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.76% | 89.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 91.50% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.19% | 92.94% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.19% | 90.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.11% | 93.40% |
| CHEMBL3194 | P02766 | Transthyretin | 87.39% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.90% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.78% | 98.95% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.73% | 82.67% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.47% | 93.10% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 84.72% | 94.42% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.68% | 88.48% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.51% | 95.78% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.34% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.92% | 98.75% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.06% | 90.24% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.89% | 99.17% |
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.
| Macleaya microcarpa |
| PubChem | 75154212 |
| LOTUS | LTS0078018 |
| wikiData | Q105276991 |