6-O-demethylancistrobenomine A
| Internal ID | 18e110ca-0d94-46f3-b384-e19d0b807e87 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Naphthylisoquinolines |
| IUPAC Name | 5-(4-hydroxy-5-methoxy-2-methylnaphthalen-1-yl)-3-(hydroxymethyl)-8-methoxy-1-methylisoquinolin-6-ol |
| SMILES (Canonical) | CC1=CC(=C2C(=C1C3=C4C=C(N=C(C4=C(C=C3O)OC)C)CO)C=CC=C2OC)O |
| SMILES (Isomeric) | CC1=CC(=C2C(=C1C3=C4C=C(N=C(C4=C(C=C3O)OC)C)CO)C=CC=C2OC)O |
| InChI | InChI=1S/C24H23NO5/c1-12-8-17(27)23-15(6-5-7-19(23)29-3)21(12)24-16-9-14(11-26)25-13(2)22(16)20(30-4)10-18(24)28/h5-10,26-28H,11H2,1-4H3 |
| InChI Key | OROUNLQXXAREPA-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H23NO5 |
| Molecular Weight | 405.40 g/mol |
| Exact Mass | 405.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 92.00 Ų |
| XlogP | 4.10 |
| CHEMBL509688 |
| 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 | 96.29% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.95% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.33% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.58% | 93.99% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.49% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.74% | 98.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.44% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.99% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.99% | 86.33% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 88.89% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.88% | 96.09% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 88.82% | 94.03% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.74% | 89.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.59% | 99.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.14% | 94.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.10% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.41% | 96.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.07% | 93.31% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.78% | 93.65% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 84.63% | 91.79% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.44% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.95% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.77% | 94.45% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.82% | 96.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.13% | 99.23% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.70% | 96.39% |
| CHEMBL3085 | P43003 | Excitatory amino acid transporter 1 | 80.34% | 94.67% |
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.
| Ancistrocladus benomensis |
| PubChem | 135537678 |
| LOTUS | LTS0095155 |
| wikiData | Q105198126 |