Compound | 13(R)-antofine-N-oxide |
NPACT-Id | NPACT01401 |
IUPAC | (13aR)-2,3,6-trimethoxy-10-oxido-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-10-ium |
Synonyms | - |
PubChem Id | 10339670 |
Class | Alkaloids |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | MUSNTDDWXDJEFG-GMBBYQRISA-N |
InChi | 1S/C23H25NO4/c1-26-15-6-7-16-18(10-15)20-12-23(28-3)22(27-2)11-19(20)17-9-14-5-4-8-24(14,25)13-21(16)17/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3/t14-,24?/m1/s1 |
SMILES | [O-][N+]12[C@H](CCC1)Cc1c(C2)c2c(c3c1cc(OC)c(OC)c3)cc(OC)cc2 |
SMART | [#6]OC1=CC2=C(C=C1)C1=C(C[C@H]3CCC[N+]3([O-])C1)C1=CC(O[#6])=C(O[#6])C=C21 |
CAS No. | - |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | - |
CTD | - |
HIT | - |
NCI-60 GI50 data | - |
Suppliers | NA, |
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 |