NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a a
Compound2-alpha-hydroxytirotundin
NPACT-IdNPACT00096
IUPAC-
Synonyms-
PubChem Id636756
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyUFLGQPOBCWRADC-JWEFVCNNSA-N
InChi1S/C19H28O7/c1-9(2)16(21)25-13-7-18(5)8-14(20)19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h9-10,12-15,20,23H,4,6-8H2,1-3,5H3/t10-,12+,13+,14+,15-,18+,19+/m0/s1
SMILESO1[C@]2(C[C@@H](O)[C@@]1(O)[C@H](C[C@H]1OC(=O)C(=C)[C@@H]1[C@H](OC(=O)C(C)C)C2)C)C
SMART[H]O[C@]1([H])C([H])([H])[C@@]2(O[C@]1(O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@@]1([H])OC(=O)C(=C([H])[H])[C@]1([H])[C@]([H])(OC(=O)[C@]([H])(C([H])([H])[H])C([H])([H])[H])C2([H])[H])C([H])([H])[H]
CAS No.464-92-6
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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