Compound | deacetoxymatricarin |
NPACT-Id | NPACT01184 |
IUPAC | - |
Synonyms | Desacetoxymatricarin;Leukomisin;Axillin;Leucodine;Leukodin;Deacetoxymatricarin;Desacetoxymatricarine |
PubChem Id | 167683 |
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 | BJPSSVHNEGMBDQ-NUZBWSBOSA-N |
InChi | 1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3/t9-,10-,13-,14-/m0/s1 |
SMILES | O1[C@H]2[C@H]([C@@H](C1=O)C)CCC(=C1[C@@H]2C(=CC1=O)C)C |
SMART | [H]C1=C(C([H])([H])[H])[C@@]2([H])C(C1=O)=C(C([H])([H])[H])C([H])([H])C([H])([H])[C@]1([H])[C@]2([H])OC(=O)[C@@]1([H])C([H])([H])[H] |
CAS No. | 17946-87-1 |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | - |
CTD | - |
HIT | - |
NCI-60 GI50 data | - |
Suppliers | AAA Chemistry, ABI Chem, Ambinter, Kingston Chemistry, ZINC, |
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 |