NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound24-epibrassinolide
NPACT-IdNPACT00085
IUPAC2alpha,3alpha,22alpha,23alpha-Tetrahydroxy-24alpha-methyl-B-homo-7-oxa-5alpha-cholestan-6-one
Synonyms-
PubChem Id115196
ClassSteroids
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsBCL2 | BCL2L1 | BID | CASP3 | CCNB1 | CCND1 | CCNE1 | CDK2 | CDK4 | CDKN1A | CDKN1B | MDM2 | TP53 |   All | 
Properties Physical   Elemental  Topological
InChi KeyIXVMHGVQKLDRKH-KNBKMWSGSA-N
InChi1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1
SMILESO1C[C@H]2[C@H]3[C@@]([C@H](CC3)[C@@H]([C@@H](O)[C@H](O)[C@H](C(C)C)C)C)(CC[C@@H]2[C@@]2([C@H](C[C@H](O)[C@H](O)C2)C1=O)C)C
SMART[H]O[C@@]([H])([C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])OC(=O)[C@@]4([H])C([H])([H])[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C023623
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, ChemMol, Hangzhou Trylead Chemical Technology, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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