NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound(3S,5S)-3,5-dihydroxy-1,7-bis(4-hydroxyphenyl)heptane
NPACT-IdNPACT01400
IUPAC(3S,5S)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol
Synonyms-
PubChem Id10335921
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyGZVIQGVWSNEONZ-OALUTQOASA-N
InChi1S/C19H24O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18-23H,5-6,11-13H2/t18-,19-/m0/s1
SMILESO[C@H](C[C@@H](O)CCc1ccc(O)cc1)CCc1ccc(O)cc1
SMARTO[C@@H](CCC1=CC=C(O)C=C1)C[C@@H](O)CCC1=CC=C(O)C=C1
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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