Compound	Alpha-Mangostin
NPACT-Id	NPACT00237
IUPAC	4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
Synonyms	Mangostin;Mangostine;9H-Xanthen-9-one,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-;Xanthen-9-one,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-;Mangosteen extract
PubChem Id	5281650
Class	Simple aromatic natural products
In-vitro anticancer activity	4 cancer cell lines
In-Vivo anticancer activity	No
Targets	CASP3 \| CASP8 \| CASP9 \| CCND1 \| CDK2 \| CDK4 \| CDK6 \| CDK7 \| CDKN1A \| CHEK-2 \| CYCS \| MAPK7 \| PCNA \| All \|
Properties	Physical Elemental Topological
InChi Key	GNRIZKKCNOBBMO-UHFFFAOYSA-N
InChi	1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
SMILES	o1c2c(c(CC=C(C)C)c(OC)c(O)c2)c(=O)c2c1cc(O)c(c2O)CC=C(C)C
SMART	[H]OC1=C([H])C2=C(C(=O)C3=C(O2)C([H])=C(O[H])C(=C3O[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C(=C1OC([H])([H])[H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H]
CAS No.	6147-11-1
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C021053
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Amadis Chemical, Ambinter, ChemFrog, ChemMol, Hangzhou APIChem Technology, IS Chemical Technology, MolPort, Therapeutic Targets Database, TimTec, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	Yes
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase