NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCabraleadiol
NPACT-IdNPACT00363
IUPAC(5S)-5-[(3R,5R,8R,9R,10R,13R,14R,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-methyloxolan-2-one
Synonyms(3a,24S)-20,24-epoxydammarane-3,25-diol;dammarane-3,25-diol, 20,24-epoxy-,(3a,24S)-
PubChem Id21625899
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyRQBNSDSKUAGBOI-ZNYSIYOKSA-N
InChi1S/C30H52O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21+,22-,23-,24+,27+,28-,29-,30+/m1/s1
SMILESO1[C@]([C@@H]2[C@@H]3[C@]([C@]4([C@@H]([C@@]5([C@@H](CC4)C([C@H](O)CC5)(C)C)C)CC3)C)(CC2)C)(CC[C@H]1C(O)(C)C)C
SMART[#6][C@@]([#6])(O)[C@@H]1CC[C@]([#6])(O1)[C@H]1CC[C@]2([#6])[C@@H]1CC[C@@H]1[C@@]3([#6])CC[C@@H](O)[C@@]([#6])([#6])[C@@H]3CC[C@@]21[#6]
CAS No.67253-01-4
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   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.