NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound11-Hydroxy-1-isomangostin
NPACT-IdNPACT00034
IUPAC3,5,9-trihydroxy-10-methoxy-2,2-dimethyl-11-(3-methylbut-2-enyl)-3,4-dihydropyrano[2,3-a]xanthen-12-one
Synonyms-
PubChem Id46880203
ClassSimple aromatic natural products
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsRELA |   All | 
Properties Physical   Elemental  Topological
InChi KeyYHXWPTCZEWMDBD-UHFFFAOYSA-N
InChi1S/C24H26O7/c1-11(2)6-7-12-19-16(10-15(26)22(12)29-5)30-17-9-14(25)13-8-18(27)24(3,4)31-23(13)20(17)21(19)28/h6,9-10,18,25-27H,7-8H2,1-5H3
SMILESO1C([C@@H](O)Cc2c1c1c(oc3c(c1=O)c(CC=C(C)C)c(OC)c(O)c3)cc2O)(C)C
SMART[#6]OC1=C(CC=C([#6])[#6])C2=C(OC3=C(C2=O)C2=C(C[C@H](O)[C@@]([#6])([#6])O2)C(O)=C3)C=C1O
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   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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