NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundYangambin
NPACT-IdNPACT01027
IUPAC(3S,3aR,6S,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
SynonymsYangabin; ( )-Yangabin; Lirioresinol B; dimethyl-, O,O-Dimethyllirioresinol B; Lirioresinol B dimethyl ether; O,O-Dimethyllirioresinol B; Lirioresinol B dimethyl ether; ( )-O,O-Dimethyllirioresinol B; Lirioresinol-B dimethyl ether; (3S,3aR,6S,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan; epiyangambin
PubChem Id443028
ClassLignans
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsBCL2L1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyHRLFUIXSXUASEX-RZTYQLBFSA-N
InChi1S/C24H30O8/c1-25-17-7-13(8-18(26-2)23(17)29-5)21-15-11-32-22(16(15)12-31-21)14-9-19(27-3)24(30-6)20(10-14)28-4/h7-10,15-16,21-22H,11-12H2,1-6H3/t15-,16-,21+,22+/m0/s1
SMILESO1[C@@H]([C@@H]2[C@@H]([C@H](OC2)c2cc(OC)c(OC)c(OC)c2)C1)c1cc(OC)c(OC)c(OC)c1
SMART[H]C1=C(OC([H])([H])[H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[C@@]1([H])OC([H])([H])[C@]2([H])[C@]([H])(OC([H])([H])[C@]12[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]
CAS No.13060-14-5
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C082827
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, ZINC, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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