3-(hydroxymethyl)-9,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
Internal ID | dece7faf-b1cb-469b-bc7e-96ba79a1b7ce |
Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
IUPAC Name | 3-(hydroxymethyl)-9,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol |
SMILES (Canonical) | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)CO)O)C=C1)OC |
SMILES (Isomeric) | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)CO)O)C=C1)OC |
InChI | InChI=1S/C20H23NO4/c1-24-19-4-3-12-8-17-15-9-18(23)14(11-22)7-13(15)5-6-21(17)10-16(12)20(19)25-2/h3-4,7,9,17,22-23H,5-6,8,10-11H2,1-2H3 |
InChI Key | GUYGHGTULHWCTK-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H23NO4 |
Molecular Weight | 341.40 g/mol |
Exact Mass | 341.16270821 g/mol |
Topological Polar Surface Area (TPSA) | 62.20 Ų |
XlogP | 2.60 |
There are no found synonyms. |
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 | 99.33% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.67% | 91.11% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 96.01% | 95.62% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.60% | 93.99% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.17% | 86.33% |
CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 91.98% | 91.79% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.42% | 89.62% |
CHEMBL2535 | P11166 | Glucose transporter | 91.17% | 98.75% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.39% | 95.56% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.76% | 93.40% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.74% | 95.89% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.41% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 89.26% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.03% | 99.17% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.88% | 95.89% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.37% | 92.62% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.97% | 91.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.56% | 85.14% |
CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.90% | 88.48% |
CHEMBL5747 | Q92793 | CREB-binding protein | 84.84% | 95.12% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.77% | 90.00% |
CHEMBL261 | P00915 | Carbonic anhydrase I | 83.75% | 96.76% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.36% | 82.38% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.59% | 89.05% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.59% | 97.25% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.50% | 94.00% |
CHEMBL4302 | P08183 | P-glycoprotein 1 | 81.60% | 92.98% |
CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 80.29% | 96.25% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.11% | 92.94% |
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.
Glaucium fimbrilligerum |
PubChem | 162951080 |
LOTUS | LTS0091651 |
wikiData | Q105020815 |