NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound7,4'-dihydroxyflavan
NPACT-IdNPACT01104
IUPAC-
Synonyms(2S)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;2H-1-Benzopyran-7-ol, 3,4-dihydro-2-(4-hydroxyphenyl)-, (2S)-;
PubChem Id158280
ClassFlavonoid
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYXMLGIGHGPSEKA-AWEZNQCLSA-N
InChi1S/C15H14O3/c16-12-5-1-10(2-6-12)14-8-4-11-3-7-13(17)9-15(11)18-14/h1-3,5-7,9,14,16-17H,4,8H2/t14-/m0/s1
SMILESO1[C@@H](CCc2c1cc(O)cc2)c1ccc(O)cc1
SMART[H]OC1=C([H])C([H])=C(C([H])=C1[H])[C@@]1([H])OC2=C(C([H])=C([H])C(O[H])=C2[H])C([H])([H])C1([H])[H]
CAS No.494-48-4
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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