NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundalpha-cadinol
NPACT-IdNPACT01121
IUPAC-
Synonyms.delta.-Cadinol;.tau.-Muurolol;.tau.-Cadinol;1.beta.-Cadin-4-en-10-ol;4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenol;1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, [1R-(1.alpha.,4.beta.,4a.beta.,8a.beta.)]-;
PubChem Id519662
ClassTerpenoids
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNQO1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyLHYHMMRYTDARSZ-UHFFFAOYSA-N
InChi1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3
SMILESOC1(C2C(C(CC1)C(C)C)C=C(CC2)C)C
SMART[H]O[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])[H])[C@@]2([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])[C@]12[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C445364
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, ChemFrog, 
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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