NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundrel-(3S,4aR,10bR)-8-hydroxy-3-(4-hydroxyphenyl)-9-methoxy-4a,5,6,-10b-tetrahydro-3H-naphtho[2,1-b]pyran
NPACT-IdNPACT01415
IUPAC(3R,4aS,10bR)-3-(4-hydroxyphenyl)-9-methoxy-4a,5,6,10b-tetrahydro-3H-benzo[f]chromen-8-ol
Synonyms-
PubChem Id11141878
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYGXXFSKCHMIRPK-LZQZEXGQSA-N
InChi1S/C20H20O4/c1-23-20-11-16-13(10-17(20)22)4-8-19-15(16)7-9-18(24-19)12-2-5-14(21)6-3-12/h2-3,5-7,9-11,15,18-19,21-22H,4,8H2,1H3/t15-,18-,19+/m1/s1
SMILESO1[C@@H]2[C@@H](c3c(CC2)cc(O)c(OC)c3)C=C[C@@H]1c1ccc(O)cc1
SMART[#6]OC1=C(O)C=C2CC[C@@H]3O[C@H](C=C[C@@H]3C2=C1)C1=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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