Compound | Lycoricidinol |
NPACT-Id | NPACT00732 |
IUPAC | (2S,3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one |
Synonyms | Narciclasine;Narciclasina;Lycorcidinol;Nacriclasine;Lycoricidin-A |
PubChem Id | 72376 |
Class | Alkaloids |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | NOS2 | TNF | All | |
Properties | Physical Elemental Topological |
InChi Key | LZAZURSABQIKGB-AEKGRLRDSA-N |
InChi | 1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)/t6-,9+,10+,12-/m0/s1 |
SMILES | O[C@H]1[C@@H]2NC(=O)c3c(C2=C[C@H](O)[C@H]1O)cc1OCOc1c3O |
SMART | [H]OC1=C2C(=O)N([H])[C@]3([H])C(=C([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])C2=C([H])C2=C1OC([H])([H])O2 |
CAS No. | 29477-83-6 |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | 000502658 |
CTD | C423646 |
HIT | C0126 |
NCI-60 GI50 data | 29477-83-6 |
Suppliers | AAA Chemistry, ABI Chem, Kingston Chemistry, |
Drug-Likeliness Filters | Lipinski's rule of five | Yes |
Ghose filter | No |
Veber filter | Yes |
Muegge Filter | Yes |
Similarity Search | Human metabolite database | FDA approved drugs |