Compound	xanthinin
NPACT-Id	NPACT01382
IUPAC	-
Synonyms	Xanthinin;Ksantinin;1-(7-Methyl-3-methylene-2-oxo-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-6-yl)-3-oxobutyl acetate;
PubChem Id	160533
Class	Terpenoids
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	DPSCQKGSAHTWSP-UHFFFAOYSA-N
InChi	1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3
SMILES	O1C2C(CC=C(C(C2)C)C(OC(=O)C)CC(=O)C)C(=C)C1=O
SMART	[H]C([H])=C1/C(=O)O[C@]2([H])C([H])([H])[C@@]([H])(C(=C([H])C([H])([H])[C@@]12[H])[C@]([H])(OC(=O)C([H])([H])[H])C([H])([H])C(=O)C([H])([H])[H])C([H])([H])[H]
CAS No.	580-49-4?
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C022185
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	AAA Chemistry, ABI Chem, ChemFrog, IS Chemical Technology, Kingston Chemistry,
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