Compound	Xanthatin
NPACT-Id	NPACT01022
IUPAC	(3aR,7S,8aS)-7-methyl-3-methylidene-6-[(E)-3-oxobut-1-enyl]-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
Synonyms	8-epi-Xanthatin
PubChem Id	5281511
Class	Terpenoids
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	ALOX5 \| CASP3 \| CASP7 \| PTGER3 \| All \|
Properties	Physical Elemental Topological
InChi Key	RBRPTFMVULVGIC-ZTIIIDENSA-N
InChi	1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4+/t9-,13+,14-/m0/s1
SMILES	O1[C@@H]2[C@H](CC=C([C@H](C2)C)/C=C/C(=O)C)C(=C)C1=O
SMART	[H]C([H])=C1/C(=O)O[C@@]2([H])C([H])([H])[C@]([H])(C([H])([H])[H])C(C([H])=C(/[H])C(=O)C([H])([H])[H])=C([H])C([H])([H])[C@]12[H]
CAS No.	26791-73-1
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C022186
	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 Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase