Compound | taxuspine |
NPACT-Id | NPACT01345 |
IUPAC | - |
Synonyms | - |
PubChem Id | 5321748 |
Class | Terpenoids |
In-vitro anticancer activity | 2 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | CWMUWKWZNUFEDY-HHUKPFFDSA-N |
InChi | 1S/C28H38O10/c1-12-19(33)10-18-24(36-15(4)30)23-13(2)20(34)11-21(35-14(3)29)28(23,9)26(38-17(6)32)25(37-16(5)31)22(12)27(18,7)8/h18,20-21,23-26,34H,2,10-11H2,1,3-9H3/t18?,20-,21-,23-,24+,25+,26-,28+/m0/s1 |
SMILES | O([C@H]1[C@H]2[C@]([C@@H](OC(=O)C)[C@H](OC(=O)C)C3=C(C(=O)CC1C3(C)C)C)([C@@H](OC(=O)C)C[C@H](O)C2=C)C)C(=O)C |
SMART | [#6]C(=O)O[C@H]1C[C@H](O)C(=C)[C@H]2[C@H](OC([#6])=O)C3CC(=O)C([#6])=C([C@@H](OC([#6])=O)[C@H](OC([#6])=O)[C@]12[#6])C3([#6])[#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 | No |
Ghose filter | No |
Veber filter | No |
Muegge Filter | Yes |
Similarity Search | Human metabolite database | FDA approved drugs |