NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundOlean-12-en-3-alpha,24-diol
NPACT-IdNPACT00827
IUPAC4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
Synonyms-
PubChem Id14167252
ClassTerpenoids
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyNTWLPZMPTFQYQI-UHFFFAOYSA-N
InChi1S/C30H50O2/c1-25(2)14-15-26(3)16-17-29(6)20(21(26)18-25)8-9-23-27(4)12-11-24(32)28(5,19-31)22(27)10-13-30(23,29)7/h8,21-24,31-32H,9-19H2,1-7H3
SMILESO[C@H]1[C@@]([C@@H]2[C@]([C@H]3[C@@]([C@@]4(C(=CC3)[C@H]3[C@](CC4)(CCC(C3)(C)C)C)C)(CC2)C)(CC1)C)(CO)C
SMART[#6][C@@]1([#6])CC[C@@]2([#6])CC[C@@]3([#6])C(=CC[C@H]4[C@]5([#6])CC[C@@H](O)[C@]([#6])(CO)[C@H]5CC[C@]34[#6])[C@@H]2C1
CAS No.-
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   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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