7-Methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]quinolin-8-ol
| Internal ID | 69631752-3bb8-43db-aa52-dac5c4268f26 |
| Taxonomy | Alkaloids and derivatives > Aporphines > Hydroxy-7-aporphines |
| IUPAC Name | 11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol |
| SMILES (Canonical) | CN1CCC2=CC3=C(C4=C2C1C(C5=CC=CC=C54)O)OCO3 |
| SMILES (Isomeric) | CN1CCC2=CC3=C(C4=C2C1C(C5=CC=CC=C54)O)OCO3 |
| InChI | InChI=1S/C18H17NO3/c1-19-7-6-10-8-13-18(22-9-21-13)15-11-4-2-3-5-12(11)17(20)16(19)14(10)15/h2-5,8,16-17,20H,6-7,9H2,1H3 |
| InChI Key | NVMGTUCOAQKLLO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H17NO3 |
| Molecular Weight | 295.30 g/mol |
| Exact Mass | 295.12084340 g/mol |
| Topological Polar Surface Area (TPSA) | 41.90 Ų |
| XlogP | 2.20 |
| CHEMBL2009013 |
| NVMGTUCOAQKLLO-UHFFFAOYSA-N |
| NCI60_002357 |
| 7-Methyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-ol # |
| 7-Methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]quinolin-8-ol |
![2D Structure of 7-Methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]quinolin-8-ol](https://plantaedb.com/storage/docs/compounds/2023/11/7-methyl-677a8-tetrahydro-5h-benzog13dioxolo4545benzo123-dequinolin-8-ol.jpg "2D Structure of 7-Methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]quinolin-8-ol")
| 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 | 97.68% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.34% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.84% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.88% | 93.40% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.40% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.36% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.54% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.99% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.60% | 89.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.54% | 91.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.10% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.22% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.42% | 92.62% |
| CHEMBL240 | Q12809 | HERG | 83.98% | 89.76% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.95% | 82.67% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.33% | 85.14% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.47% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.46% | 100.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.42% | 96.25% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 80.43% | 98.46% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.02% | 90.71% |
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.
| Chelonanthus albus |
| Duguetia flagellaris |
| Duguetia odorata |
| Duguetia vallicola |
| Greenwayodendron oliveri |
| Greenwayodendron suaveolens |
| Magnolia compressa |
| Phoebe formosana |
| PubChem | 431013 |
| LOTUS | LTS0094744 |
| wikiData | Q104397053 |