Compound | 4-alpha,6-alpha-dihydroxyeudesman-8-beta,12-olide |
NPACT-Id | NPACT00151 |
IUPAC | (3aS,4S,4aS,5R,8aR,9aR)-4,5-dihydroxy-5,8a-dimethyl-3-methylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one |
Synonyms | 4'-Demethylpodophyllotoxin ;Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R-(5-alpha,5a-beta,8a-alpha,9-alpha))- |
PubChem Id | 10445633 |
Class | Terpenoids |
In-vitro anticancer activity | 6 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | UHIDZLOHKIJPTQ-QSYFAPPXSA-N |
InChi | 1S/C15H22O4/c1-8-10-9(19-13(8)17)7-14(2)5-4-6-15(3,18)12(14)11(10)16/h9-12,16,18H,1,4-7H2,2-3H3/t9-,10-,11+,12-,14-,15-/m1/s1 |
SMILES | O1[C@@H]2C[C@@]3([C@H]([C@](O)(CCC3)C)[C@@H](O)[C@@H]2C(=C)C1=O)C |
SMART | [#6][C@@]1(O)CCC[C@]2([#6])C[C@H]3OC(=O)C(=C)[C@H]3[C@H](O)[C@@H]12 |
CAS No. | 20525206 |
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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 |