Compound | Noscapine |
NPACT-Id | NPACT00819 |
IUPAC | (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one |
Synonyms | Tusscapine; Capval; NARCOTINE; Narcompren; Narcotussin; Coscopin; Longatin; Narcosine; Nipaxon; Noscopine; Opianin; Terbenol; Methoxyhydrastine; Noscapal; Noscapine; (S,R)-Noscapine; (-)-.alpha.-Narcotine |
PubChem Id | 275196 |
Class | Alkaloids |
In-vitro anticancer activity | 2 cancer cell lines |
In-Vivo anticancer activity | Yes |
Targets | BAX | BCL2 | birc5a | CASP3 | CASP9 | CYCS | All | |
Properties | Physical Elemental Topological |
InChi Key | AKNNEGZIBPJZJG-MSOLQXFVSA-N |
InChi | 1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1 |
SMILES | O1[C@H]([C@@H]2N(CCc3c2c(OC)c2OCOc2c3)C)c2c(C1=O)c(OC)c(OC)cc2 |
SMART | [H]C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C2=C1[C@]([H])(OC2=O)[C@]1([H])[N@](C([H])([H])[H])C([H])([H])C([H])([H])C2=C([H])C3=C(OC([H])([H])O3)C(OC([H])([H])[H])=C12 |
CAS No. | 128-62-1 |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | 000128621 |
CTD | D009665 |
HIT | - |
NCI-60 GI50 data | 128-62-1 |
Suppliers | ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, Aronis, ChemMol, Hangzhou APIChem Technology, Sigma-Aldrich, Vitas-M
Laboratory, ZINC, |
Drug-Likeliness Filters | Lipinski's rule of five | Yes |
Ghose filter | Yes |
Veber filter | Yes |
Muegge Filter | Yes |
Similarity Search | Human metabolite database | FDA approved drugs |