NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundTerpinen-4-ol
NPACT-IdNPACT00971
IUPAC(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-ol
Synonyms-
PubChem Id2724161
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy Yes
TargetsABCB1 | CASP3 |   All | 
Properties Physical   Elemental  Topological
InChi KeyWRYLYDPHFGVWKC-SNVBAGLBSA-N
InChi1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3/t10-/m1/s1
SMILESO[C@@]1(C(C)C)CCC(=CC1)C
SMART[H]O[C@@]1(C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C1([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])[H]
CAS No.2438-10-0
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, ChemExper Chemical Directory, Sigma-Aldrich, TCI (Tokyo Chemical Industry), ZINC, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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