Compound	alpha-santonin
NPACT-Id	NPACT01125
IUPAC	-
Synonyms	Santoninic anhydride;481-06-1;alpha.-Santonin;(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
PubChem Id	221071
Class	Terpenoids
In-vitro anticancer activtiy	2 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	XJHDMGJURBVLLE-BOCCBSBMSA-N
InChi	1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1
SMILES	O1[C@H]2[C@@H](CC[C@@]3(C2=C(C(=O)C=C3)C)C)[C@@H](C1=O)C
SMART	[H]C1=C([H])[C@]2(C(=C(C1=O)C([H])([H])[H])[C@@]1([H])OC(=O)[C@@]([H])(C([H])([H])[H])[C@]1([H])C([H])([H])C2([H])[H])C([H])([H])[H]
CAS No.	481-06-1
Structure Download
Cross Refrence in other databases
	Super Natural	000481061
	CTD	D012500
	HIT	-
	NCI-60 GI₅₀ data	481-06-1
Suppliers	ABI Chem, Amadis Chemical, Ambinter, ChemExper Chemical Directory, MolPort, R&D Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	Yes
	Veber filter	Yes
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase