Compound | 4E-jatrogrossidentadion |
NPACT-Id | NPACT00160 |
IUPAC | - |
Synonyms | - |
PubChem Id | - |
Class | Terpenoids |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | FBVWSXCVYVNYII-RFONVQCZSA-N |
InChi | 1S/C20H28O4/c1-11-8-14-13(18(14,3)4)6-7-19(5,23)10-15-16(21)12(2)9-20(15,24)17(11)22/h9-11,13-14,23-24H,6-8H2,1-5H3/b15-10-/t11-,13+,14-,19+,20-/m1/s1 |
SMILES | C1(=O)[C@@H](C[C@@H]2[C@H](CC[C@@](C=C3C(=O)C(=C[C@]13O)C)(O)C)C2(C)C)C |
SMART | [#6][C@@H]1C[C@]2([H])[C@]([H])(CC[C@@](O)([#6])C=C3C(=O)C([#6])=C[C@]3(O)C1=O)[C@@]2([#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 | Yes |
Ghose filter | Yes |
Veber filter | Yes |
Muegge Filter | Yes |
Similarity Search | Human metabolite database | FDA approved drugs |