NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-epi-betulinic acid acetate
NPACT-IdNPACT00219
IUPAC9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
SynonymsBetulinic acid acetate;Acetobetulinic acid;Acetylbetulinic acid
PubChem Id289984
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyACWNTJJUZAIOLW-UHFFFAOYSA-N
InChi1S/C32H50O4/c1-19(2)21-11-16-32(27(34)35)18-17-30(7)22(26(21)32)9-10-24-29(6)14-13-25(36-20(3)33)28(4,5)23(29)12-15-31(24,30)8/h21-26H,1,9-18H2,2-8H3,(H,34,35)
SMILESO(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC5C(=C)C)C(=O)O)CC3)C)(CC2)C)(CC1)C)(C)C)C(=O)C
SMART[#6]C(=C)C1CCC2(CCC3([#6])C(CCC4C5([#6])CCC(OC([#6])=O)C([#6])([#6])C5CCC34[#6])C12)C(O)=O
CAS No.10376-50-8
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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