NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound3R)-6,4'-Dihydroxy-8-methoxyhomoisoflavan
NPACT-IdNPACT01433
IUPAC(3R)-3-[(4-hydroxyphenyl)methyl]-8-methoxy-3,4-dihydro-2H-chromen-6-ol
Synonyms-
PubChem Id44479222
ClassFlavonoid
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyMLHPTAKYAJXRHC-GFCCVEGCSA-N
InChi1S/C17H18O4/c1-20-16-9-15(19)8-13-7-12(10-21-17(13)16)6-11-2-4-14(18)5-3-11/h2-5,8-9,12,18-19H,6-7,10H2,1H3/t12-/m1/s1
SMILESO1C[C@@H](Cc2c1c(OC)cc(O)c2)Cc1ccc(O)cc1
SMART[#6]OC1=CC(O)=CC2=C1OC[C@H](CC1=CC=C(O)C=C1)C2
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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