NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCucurbalsaminol A
NPACT-IdNPACT00446
IUPAC(3S,7S,8R,9S,10S,13R,14S,17R)-17-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Synonyms-
PubChem Id44607278
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWFULNIMUTJQIKF-HCLZVIJHSA-N
InChi1S/C30H50O4/c1-18(10-9-14-26(2,3)34)19-13-15-29(7)25-22(31)16-21-20(11-12-23(32)27(21,4)5)28(25,6)17-24(33)30(19,29)8/h9,14,16,18-20,22-25,31-34H,10-13,15,17H2,1-8H3/b14-9+/t18-,19-,20-,22+,23+,24-,25-,28+,29+,30+/m1/s1
SMILESO[C@H]1[C@]2([C@]([C@H]3[C@@](C1)([C@H]1C(=C[C@@H]3O)C([C@@H](O)CC1)(C)C)C)(CC[C@@H]2[C@@H](C/C=C/C(O)(C)C)C)C)C
SMART[H]O[C@@]1([H])C([H])=C2[C@@]([H])(C([H])([H])C([H])([H])[C@]([H])(O[H])[C@]2(C([H])([H])[H])C([H])([H])[H])[C@]2(C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])[C@]3(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]12[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])=C(/[H])[C@@](O[H])(C([H])([H])[H])C([H])([H])[H]
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   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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