NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundCalyxins B
NPACT-IdNPACT00377
IUPAC7-hydroxy-8-[(E,1S,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-enyl]-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
Synonyms-
PubChem Id9829786
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyDHYXVFFHVYUZJU-PEVIGJGQSA-N
InChi1S/C35H34O8/c1-43-32-21-31(41)33(35(42)34(32)30(40)20-10-23-8-16-27(38)17-9-23)29(24-11-18-28(39)19-12-24)4-2-3-25(36)13-5-22-6-14-26(37)15-7-22/h2,4,6-12,14-21,25,29,36-39,41-42H,3,5,13H2,1H3/b4-2+,20-10+/t25-,29+/m1/s1
SMILESO[C@@H](CCc1ccc(O)cc1)C/C=C/[C@H](c1c(O)c(c(OC)cc1O)C(=O)/C=C/c1ccc(O)cc1)c1ccc(O)cc1
SMART[H]OC1=C([H])C([H])=C(C([H])=C(/[H])C(=O)C2=C(O[H])C(=C(O[H])C([H])=C2OC([H])([H])[H])[C@@]([H])(C([H])=C(/[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C2=C([H])C([H])=C(O[H])C([H])=C2[H])C2=C([H])C([H])=C(O[H])C([H])=C2[H])C([H])=C1[H]
CAS No.164991-53-1
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   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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