Compound | (1S,5S,6R,7S,10S)-5-Angeloyloxy-1-hydroxy-2-oxoxantha-3,11-dien-6,12-olide |
NPACT-Id | NPACT01481 |
IUPAC | - |
Synonyms | - |
PubChem Id | - |
Class | Terpenoids |
In-vitro anticancer activity | 7 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | WZMSNQSBWAAHTM-YCHAIHEASA-N |
InChi | 1S/C20H26O6/c1-6-8-15(21)20(24)12(4)9-10-14-13(5)19(23)25-16(14)17(20)26-18(22)11(3)7-2/h6-8,12,14,16-17,24H,5,9-10H2,1-4H3/b8-6+,11-7-/t12-,14?,16+,17-,20?/m0/s1 |
SMILES | [C@H]1(C([C@H]([C@H]2C([CH][CH]1)C(=C)C(=O)O2)OC(=O)/C(=CC)/C)(C(=O)/C=C/C)O)C |
SMART | [H]C1C([H])[C@H]([#6])C(O)([C@@H](OC(=O)C([#6])=C/[#6])[C@@H]2OC(=O)C(=C)C12)C(=O)C=C[#6] |
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 |