1-[(13S)-1-hydroxy-2-methoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]propan-2-one
Internal ID | 111a3956-be36-4ec4-b77d-c55e595f3aaa |
Taxonomy | Alkaloids and derivatives > Benzophenanthridine alkaloids > Dihydrobenzophenanthridine alkaloids |
IUPAC Name | 1-[(13S)-1-hydroxy-2-methoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]propan-2-one |
SMILES (Canonical) | CC(=O)CC1C2=C(C=CC(=C2O)OC)C3=C(N1C)C4=CC5=C(C=C4C=C3)OCO5 |
SMILES (Isomeric) | CC(=O)C[C@H]1C2=C(C=CC(=C2O)OC)C3=C(N1C)C4=CC5=C(C=C4C=C3)OCO5 |
InChI | InChI=1S/C23H21NO5/c1-12(25)8-17-21-14(6-7-18(27-3)23(21)26)15-5-4-13-9-19-20(29-11-28-19)10-16(13)22(15)24(17)2/h4-7,9-10,17,26H,8,11H2,1-3H3/t17-/m0/s1 |
InChI Key | VOXDZHCZJPMHQS-KRWDZBQOSA-N |
Popularity | 0 references in papers |
Molecular Formula | C23H21NO5 |
Molecular Weight | 391.40 g/mol |
Exact Mass | 391.14197277 g/mol |
Topological Polar Surface Area (TPSA) | 68.20 Ų |
XlogP | 3.60 |
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 | 97.22% | 96.09% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.57% | 96.77% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.94% | 91.11% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 94.35% | 92.62% |
CHEMBL2581 | P07339 | Cathepsin D | 94.35% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.31% | 86.33% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.72% | 89.62% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.41% | 94.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.36% | 89.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.03% | 99.17% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.53% | 96.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.22% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 88.08% | 90.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.84% | 95.56% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.46% | 89.50% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.56% | 90.71% |
CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.47% | 94.42% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.42% | 85.14% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 81.37% | 91.49% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.21% | 94.45% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.31% | 80.78% |
CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.11% | 96.00% |
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.
Zanthoxylum tsihanimposa |
PubChem | 162949932 |
LOTUS | LTS0131940 |
wikiData | Q105290496 |