NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundPheophorbide a
NPACT-IdNPACT00858
IUPAC-
Synonyms13-epi-Phaeophorbide-a
PubChem Id5323510
ClassPolypyrroles
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsCALR | HSPA5 | MAPK1 | MAPK8 | PDIA3 | ROS1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyOINDWIFDMFYGDX-LDCXZXNSSA-N
InChi1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1
SMILESO=C1[C@@H](C2=C3N=C(C(=C13)C)/C=c/1[nH]/c(=Cc3[nH]c(/C=C4/N=C2[C@H]([C@@H]4C)CCC(=O)O)c(c3C=C)C)/c(c1CC)C)C(=O)OC
SMART[H]OC(=O)C([H])([H])C([H])([H])[C@]1([H])C2=NC(=C([H])C3=C(C(C([H])=C([H])[H])=C(N3[H])C([H])=C3/N([H])C(=C([H])/C4=NC5=C2[C@@]([H])(C(=O)OC([H])([H])[H])C(=O)C5=C4C([H])([H])[H])C(=C3C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])[C@@]1([H])C([H])([H])[H]
CAS No.15664-29-6
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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