NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound3,5'-dihydroxythalifaboramine
NPACT-IdNPACT00109
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-3,12-diol
Synonyms-
PubChem Id10723258
ClassAlkaloids
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyFFYNASFFQZNXIU-NSOVKSMOSA-N
InChi1S/C39H44N2O9/c1-40-14-12-22-24(18-30(46-4)37(47-5)33(22)42)27(40)16-20-8-10-21(11-9-20)50-36-26-17-28-31-23(13-15-41(28)2)34(43)39(49-7)38(48-6)32(31)25(26)19-29(45-3)35(36)44/h8-11,18-19,27-28,42-44H,12-17H2,1-7H3/t27-,28-/m0/s1
SMILESO(c1c2c3[C@@H](N(CCc3c(O)c1OC)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=C3C(=C(O[#6])C(O[#6])=C4O)C2=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   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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