Compound | Artoindonesianins U |
NPACT-Id | NPACT00287 |
IUPAC | - |
Synonyms | - |
PubChem Id | 10030972 |
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 | VNXJJFDQGUBMJQ-CIAFOILYSA-N |
InChi | 1S/C35H40O7/c1-19(2)9-8-10-21(5)12-14-24-33-23(15-16-35(6,7)42-33)31(40)29-30(39)22(13-11-20(3)4)32(41-34(24)29)25-17-27(37)28(38)18-26(25)36/h9,11-12,15-18,36-38,40H,8,10,13-14H2,1-7H3/b21-12+ |
SMILES | O1C(C=Cc2c1c(c1oc(c(c(=O)c1c2O)CC=C(C)C)c1c(O)cc(O)c(O)c1)C/C=C(/CCC=C(C)C)C)(C)C |
SMART | [#6]C([#6])=CCCC([#6])=CCC1=C2O[C@]([#6])([#6])C=CC2=C(O)C2=C1OC(=C(CC=C([#6])[#6])C2=O)C1=CC(O)=C(O)C=C1O |
CAS No. | - |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | - |
CTD | C485798 |
HIT | - |
NCI-60 GI50 data | - |
Suppliers | NA, |
Drug-Likeliness Filters | Lipinski's rule of five | No |
Ghose filter | No |
Veber filter | Yes |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |