NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound6'-desmethylthalifaboramine
NPACT-IdNPACT00186
IUPAC(8S)-11-[4-[[(1S)-6-hydroxy-7-methoxy-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 Id10416673
ClassAlkaloids
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyRRRBUQLZAIRJQZ-VMPREFPWSA-N
InChi1S/C38H42N2O7/c1-39-13-11-22-16-30(41)31(43-3)19-25(22)28(39)15-21-7-9-24(10-8-21)47-37-27-18-29-34-23(12-14-40(29)2)17-33(45-5)38(46-6)35(34)26(27)20-32(44-4)36(37)42/h7-10,16-17,19-20,28-29,41-42H,11-15,18H2,1-6H3/t28-,29-/m0/s1
SMILESO(c1c2c3[C@@H](N(CCc3cc1OC)C)Cc1c2cc(OC)c(O)c1Oc1ccc(C[C@@H]2N(CCc3c2cc(OC)c(O)c3)C)cc1)C
SMART[#6]OC1=C(O)C=C2CC[N@@]([#6])[C@@H](CC3=CC=C(OC4=C5C[C@@H]6[N@]([#6])CCC7=CC(O[#6])=C(O[#6])C(C5=CC(O[#6])=C4O)=C67)C=C3)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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