NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundVismin
NPACT-IdNPACT01376
IUPAC-
Synonyms4,5,10-trihydroxy-7-methyl-1,1-bis(3-methylbut-2-enyl)anthracen-2-one;73210-82-9;1(4H)-Anthracenone, 3,8,9-trihydroxy-6-methyl-4,4-bis(3-methyl-2-butenyl)-
PubChem Id155775
ClassPolycyclic aromatic natural products
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyUACVIOSHILFFIH-UHFFFAOYSA-N
InChi1S/C25H28O4/c1-14(2)6-8-25(9-7-15(3)4)18-12-17-10-16(5)11-19(26)22(17)24(29)23(18)20(27)13-21(25)28/h6-7,10-13,26-27,29H,8-9H2,1-5H3
SMILESO=C1C(c2c(C(=C1)O)c(O)c1c(c2)cc(cc1O)C)(CC=C(C)C)CC=C(C)C
SMART[H]OC1=C([H])C(=C([H])C2=C([H])C3=C(C(O[H])=C([H])C(=O)[C@@]3(C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])C(O[H])=C12)C([H])([H])[H]
CAS No.73210-82-9
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Angene International, ChemFrog, 
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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