NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundHexanorcucurbitacin D
NPACT-IdNPACT00661
IUPAC(2S,8S,9R,10R,13R,14S,16R,17R)-17-acetyl-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
Synonyms-
PubChem Id45272227
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyDBGQLXXAKKEGFX-KFUQAJKQSA-N
InChi1S/C24H34O5/c1-12(25)19-16(27)10-22(4)17-8-7-13-14(9-15(26)20(29)21(13,2)3)24(17,6)18(28)11-23(19,22)5/h7,14-17,19,26-27H,8-11H2,1-6H3/t14-,15+,16-,17+,19+,22+,23-,24+/m1/s1
SMILESO[C@H]1[C@@H]([C@@]2([C@]([C@H]3[C@]([C@H]4C(=CC3)C(C(=O)[C@@H](O)C4)(C)C)(C(=O)C2)C)(C1)C)C)C(=O)C
SMART[#6]C(=O)[C@H]1[C@H](O)C[C@@]2([#6])[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)[C@@]4([#6])[#6])[C@]3([#6])C(=O)C[C@]12[#6]
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   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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