NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound4-beta-D-(glucopyranosyloxy)-3-[3-methoxy-trans-isopenten-1-yl]acetophenone
NPACT-IdNPACT00152
IUPAC-
Synonyms-
PubChem Id-
ClassSimple aromatic natural products
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyDKHQGANNIBTMQA-ISIXXXIXSA-N
InChi1S/C19H26O7/c1-8(2)16(21)25-11-7-18(4,23)10-6-12(20)19(5,24)14(10)15-13(11)9(3)17(22)26-15/h8,10-11,13-15,23-24H,3,6-7H2,1-2,4-5H3/t10-,11-,13-,14+,15+,18-,19+/m1/s1
SMILESc1c(c(cc(c1)C(=O)C)/C=C/C(C)(C)OC)O[C@@H]1C[C@@H]([C@H]([C@H]([C@H]1O)O)O)CO
SMARTOC[C@H]1C[C@@H](OC2=C(C=C[C@]([#6])([#6])O[#6])C=C(C=C2)C([#6])=O)[C@H](O)[C@H](O)[C@@H]1O
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   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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