NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound4-alpha,6-alpha-dihydroxyeudesman-8-beta,12-olide
NPACT-IdNPACT00151
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
Synonyms4'-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 Id10445633
ClassTerpenoids
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyUHIDZLOHKIJPTQ-QSYFAPPXSA-N
InChi1S/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
SMILESO1[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
Structure
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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 SearchHuman metabolite databaseFDA approved drugs

 






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