Compound | Rhinacanthin H |
NPACT-Id | NPACT00911 |
IUPAC | - |
Synonyms | - |
PubChem Id | - |
Class | Polycyclic aromatic natural products |
In-vitro anticancer activity | 5 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | PGBVSJKVNNPZJQ-JUVVUYAKSA-N |
InChi | 1S/C25H30O6/c1-6-25(5,30)13-9-10-16(2)23(29)31-15-24(3,4)14-19-20(26)17-11-7-8-12-18(17)21(27)22(19)28/h6-8,10-12,28,30H,1,9,13-15H2,2-5H3/b16-10+/t25-/m1/s1 |
SMILES | c1cccc2c1C(=O)C(=C(C2=O)O)CC(C)(C)COC(=O)/C(=C/CCC(C=C)(C)O)/C |
SMART | C=C[C@@]([#6])(O)CCC=C(/[#6])C(=O)OC[C@@]([#6])([#6])CC1=C(O)C(=O)C2=CC=CC=C2C1=O |
CAS No. | 205653-90-3 |
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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 |