NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound2-alpha-hydroxy-3-beta-{[(2E)-3-phenyl-1-oxo-2-propenyl]oxy}-olean-12-en-28-oic acid
NPACT-IdNPACT00094
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyZXBJSKCQAZPJBS-QAGFVMRRSA-N
InChi1S/C30H50O4/c1-18-23(32)19(31)16-21-26(18,4)9-8-20-27(21,5)11-12-29(7)22-17-25(2,3)10-14-30(22,24(33)34)15-13-28(20,29)6/h18-23,31-32H,8-17H2,1-7H3,(H,33,34)/t18-,19+,20-,21+,22-,23+,26+,27+,28+,29-,30-/m0/s1
SMILESC1[C@H]([C@@H](C([C@H]2[C@]1([C@H]1[C@@](CC2)([C@]2(C(=CC1)[C@@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O)C)C)C)(C)C)OC(=O)/C=C/c1ccccc1)O
SMARTO[C@@H]1C[C@@]2([#6])[C@@H](CC[C@]3([#6])[C@H]2CC=C2[C@H]4C[C@@]([#6])([#6])CC[C@@]4(CC[C@@]32[#6])C(O)=O)[C@@]([#6])([#6])[C@H]1OC(=O)C=CC1=CC=CC=C1
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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