NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundGarcinone D
NPACT-IdNPACT00600
IUPAC1,3,6-trihydroxy-8-(3-hydroxy-3-methylbutyl)-7-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one
Synonyms-
PubChem Id5495926
ClassSimple aromatic natural products
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsCYP19A1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyTYALNCRUIKOKGP-UHFFFAOYSA-N
InChi1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3
SMILESOC(CCc1c2c(oc3c(c2=O)c(O)c(c(O)c3)CC=C(C)C)cc(O)c1OC)(C)C
SMART[H]OC1=C([H])C2=C(C(=O)C3=C(O2)C([H])=C(O[H])C(=C3O[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C(=C1OC([H])([H])[H])C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Therapeutic Targets Database, 
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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