NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound5,7,4'-trihydroxy-3,8,3'-trimethoxyflavone
NPACT-IdNPACT01093
IUPAC-
SynonymsGossypetin 3,8,3'-trimethyl ether;5,7,4'-Trihydroxy-3,8,3'-trimethoxyflavone;5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,8-dimethoxychromen-4-one;
PubChem Id-
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyHILMOZUUDXOVNS-JRPDQFAYSA-N
InChi1S/C18H30O8/c1-23-12-6-8(4-5-9(12)19)15-18(25-3)14(22)13-10(20)7-11(21)16(24-2)17(13)26-15/h8-13,15-21H,4-7H2,1-3H3/t8-,9-,10+,11-,12-,13+,15+,16+,17+,18+/m0/s1
SMILES[C@H]1([C@H](C[C@H]([C@H]2[C@H]1O[C@@H]([C@@H](C2=O)OC)[C@@H]1C[C@@H]([C@H](CC1)O)OC)O)O)OC
SMART[#6]O[C@H]1C[C@H](CC[C@@H]1O)[C@H]1O[C@H]2[C@H](O[#6])[C@@H](O)C[C@@H](O)[C@@H]2C(=O)[C@H]1O[#6]
CAS No.14965-08-3
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, ZINC, 
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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