NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compounddamsin
NPACT-IdNPACT01182
IUPAC-
SynonymsDamsine;Ambrosin, dihydro-;Dihydroambrosin;Decahydro-6,9a-dimethyl-3-methylene-azuleneo(4,5-b)furan-2,9-dione;10-alpha-H-AMBROS-11(13)-EN-12-OIC ACID, 6-beta-HYDROXY-4-OXO-, gamma-LACTONE;Azulene derivative;
PubChem Id14631
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyHPJYKMSFRBJOSW-JHSUYXJUSA-N
InChi1S/C15H20O3/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(15)16/h8,10-11,13H,2,4-7H2,1,3H3/t8-,10-,11-,13+,15-/m0/s1
SMILESO1[C@H]2[C@]3([C@H]([C@H](CC[C@H]2C(=C)C1=O)C)CCC3=O)C
SMART[H]C([H])=C1/C(=O)O[C@]2([H])[C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])C(=O)[C@@]21C([H])([H])[H]
CAS No.1216-42-8
Structure
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Cross Refrence in other databases
Super Natural   -
CTD    C012266
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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