NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundalpha-Spinasterol
NPACT-IdNPACT00239
IUPAC2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
Synonyms-
PubChem Id-
ClassSteroids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyUEWMGQVBSUKDSE-XWUHYQCMSA-N
InChi1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,9,11,19-20,22-23,25-27,30H,1,8,10,12-18H2,2-6H3/b21-9+/t20-,22+,23+,25-,26+,27+,28+,29-/m1/s1
SMILESC1C[C@@H](C[C@H]2[C@]1([C@@H]1C(=CC2)[C@@H]2CC[C@@H]([C@]2(CC1)C)[C@@H](C/C=C(/C(C)C)C=C)C)C)O
SMARTC=CC(=C/C[C@@H]([#6])[C@H]1CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4([#6])[C@@]3([H])CC[C@]12[#6])[C@H]([#6])[#6]
CAS No.4651-46-1
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C031312
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

 






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