Compound | (2S)-2'-methoxykurarinone |
NPACT-Id | NPACT01047 |
IUPAC | - |
Synonyms | (2S)-7,4'-Dihydroxy-8-lavandulyl-5,2'-dimethoxyflavanone |
PubChem Id | 11982641 |
Class | Flavonoid |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | KTAQQSUPNZAWEY-OSPHWJPCSA-N |
InChi | 1S/C27H32O6/c1-15(2)7-8-17(16(3)4)11-20-21(29)13-25(32-6)26-22(30)14-24(33-27(20)26)19-10-9-18(28)12-23(19)31-5/h7,9-10,12-13,17,24,28-29H,3,8,11,14H2,1-2,4-6H3/t17-,24+/m1/s1 |
SMILES | O1[C@@H](CC(=O)c2c1c(C[C@@H](CC=C(C)C)C(=C)C)c(O)cc2OC)c1c(OC)cc(O)cc1 |
SMART | [H]OC1=C([H])C(OC([H])([H])[H])=C(C([H])=C1[H])[C@@]1([H])OC2=C(C(OC([H])([H])[H])=C([H])C(O[H])=C2C([H])([H])[C@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])C(=O)C1([H])[H] |
CAS No. | - |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | - |
CTD | C411318 |
HIT | - |
NCI-60 GI50 data | - |
Suppliers | Therapeutic Targets Database, |
Drug-Likeliness Filters | Lipinski's rule of five | No |
Ghose filter | Yes |
Veber filter | Yes |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |