(2Z,5S,7R,8S,9R)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,13,15-tetraene-5,7-diol
Internal ID | 3c72fbcc-da01-4340-91bf-0aed14dca3c6 |
Taxonomy | Organoheterocyclic compounds > Tetrahydroisoquinolines |
IUPAC Name | (2Z,5S,7R,8S,9R)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,13,15-tetraene-5,7-diol |
SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1C4C(CC(CC=C3O4)O)O)OC)OC |
SMILES (Isomeric) | CN1CCC2=CC(=C(C\3=C2[C@@H]1[C@H]4[C@@H](C[C@H](C/C=C3\O4)O)O)OC)OC |
InChI | InChI=1S/C19H25NO5/c1-20-7-6-10-8-14(23-2)19(24-3)16-13-5-4-11(21)9-12(22)18(25-13)17(20)15(10)16/h5,8,11-12,17-18,21-22H,4,6-7,9H2,1-3H3/b13-5-/t11-,12+,17+,18+/m0/s1 |
InChI Key | OLOHLLRDMVSIEU-SWLJMSEMSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H25NO5 |
Molecular Weight | 347.40 g/mol |
Exact Mass | 347.17327290 g/mol |
Topological Polar Surface Area (TPSA) | 71.40 Ų |
XlogP | 1.20 |
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 | 98.89% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.19% | 85.14% |
CHEMBL4208 | P20618 | Proteasome component C5 | 91.20% | 90.00% |
CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 88.64% | 91.79% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.22% | 95.56% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.91% | 91.11% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.75% | 89.50% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.63% | 94.00% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.97% | 91.03% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.40% | 91.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.39% | 95.89% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.00% | 82.38% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 85.24% | 95.62% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.15% | 95.89% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.94% | 86.33% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.98% | 93.40% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.75% | 92.62% |
CHEMBL5747 | Q92793 | CREB-binding protein | 81.03% | 95.12% |
CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 80.75% | 89.32% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.15% | 95.78% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.11% | 93.99% |
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.
Stephania excentrica |
PubChem | 101700819 |
LOTUS | LTS0193038 |
wikiData | Q105194063 |