NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundactein
NPACT-IdNPACT01114
IUPAC-
Synonyms(2S,3R,4S,5R)-2-{[(4aR,5'R,5aS,7aR,7bR,10S,11aS,12aS,12bS,14aR)-4'-hydroxy-1,1,5',7a,8,12a-hexamethylhexadecahydro-2H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-[3,6]dioxabicyclo[3.1.0]hexan]-2-yl]oxy}tetrahydro-2H-pyran-3,4,5-trio;
PubChem Id15558324
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsAKT1 | ATF3 | CCND1 | MAPK1 | NFKB1 | SRC |   All | 
Properties Physical   Elemental  Topological
InChi KeyNEWMWGLPJQHSSQ-UHFFFAOYSA-N
InChi1S/C37H56O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-30,39-42H,8-16H2,1-7H3
SMILESO(C1C2(C(C3C4(C5(C4)C(CC3)C(C(OC3OCC(O)C(O)C3O)CC5)(C)C)C1)(CC1OC3(OC(O)C4(OC34)C)CC(C21)C)C)C)C(=O)C
SMART[#6]C1CC2(OC(O)C3([#6])OC23)OC2CC3([#6])C4CCC5C6(CC46CC(OC([#6])=O)C3([#6])C12)CCC(OC1OCC(O)C(O)C1O)C5([#6])[#6]
CAS No.18642-44-9
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C096064
HIT   -
NCI-60 GI50 data   -
Suppliers ChemFrog, 
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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