NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound5'-hydroxythalifaboramine
NPACT-IdNPACT00177
IUPAC(8S)-11-[4-[[(1S)-5-hydroxy-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2,13-trimethoxy-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-12-ol
Synonyms-
PubChem Id10699628
ClassAlkaloids
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyOCQIGPWTTUGDSS-VMPREFPWSA-N
InChi1S/C39H44N2O8/c1-40-15-13-24-25(19-32(46-5)39(48-7)35(24)42)28(40)16-21-8-10-23(11-9-21)49-37-27-18-29-33-22(12-14-41(29)2)17-31(45-4)38(47-6)34(33)26(27)20-30(44-3)36(37)43/h8-11,17,19-20,28-29,42-43H,12-16,18H2,1-7H3/t28-,29-/m0/s1
SMILESO(c1c2c3[C@@H](N(CCc3cc1OC)C)Cc1c2cc(OC)c(O)c1Oc1ccc(C[C@@H]2N(CCc3c2cc(OC)c(OC)c3O)C)cc1)C
SMART[#6]OC1=C(O)C(OC2=CC=C(C[C@@H]3[N@]([#6])CCC4=C(O)C(O[#6])=C(O[#6])C=C34)C=C2)=C2C[C@@H]3[N@]([#6])CCC4=CC(O[#6])=C(O[#6])C(C2=C1)=C34
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   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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