(13aS)-2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-1,9-diol
Internal ID | d71f8c68-f06b-4347-99f4-64cd9796daf5 |
Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
IUPAC Name | (13aS)-2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-1,9-diol |
SMILES (Canonical) | COC1=C(C2=C(CC3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)O |
SMILES (Isomeric) | COC1=C(C2=C(C[C@H]3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)O |
InChI | InChI=1S/C20H23NO5/c1-24-15-5-4-11-8-14-17-12(6-7-21(14)10-13(11)18(15)22)9-16(25-2)20(26-3)19(17)23/h4-5,9,14,22-23H,6-8,10H2,1-3H3/t14-/m0/s1 |
InChI Key | IYHSDZSDPMYMDV-AWEZNQCLSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H23NO5 |
Molecular Weight | 357.40 g/mol |
Exact Mass | 357.15762283 g/mol |
Topological Polar Surface Area (TPSA) | 71.40 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 | 97.96% | 96.09% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 97.88% | 95.62% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.49% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.12% | 86.33% |
CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 91.05% | 91.79% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.96% | 92.94% |
CHEMBL5747 | Q92793 | CREB-binding protein | 90.37% | 95.12% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.21% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.85% | 85.14% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.75% | 95.89% |
CHEMBL2535 | P11166 | Glucose transporter | 88.84% | 98.75% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.80% | 93.40% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 88.16% | 91.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.96% | 94.45% |
CHEMBL3438 | Q05513 | Protein kinase C zeta | 87.75% | 88.48% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.82% | 82.38% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.77% | 90.00% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.94% | 89.62% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.85% | 95.89% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.66% | 94.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.43% | 90.71% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.31% | 93.99% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.01% | 91.03% |
CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 82.16% | 96.25% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.11% | 99.17% |
CHEMBL2581 | P07339 | Cathepsin D | 81.35% | 98.95% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.14% | 83.82% |
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.
Corydalis heterocarpa |
PubChem | 12302410 |
LOTUS | LTS0200412 |
wikiData | Q105122759 |