Compound	Garcinone E
NPACT-Id	NPACT00601
IUPAC	2,3,6,8-tetrahydroxy-1,4,7-tris(3-methylbut-2-enyl)xanthen-9-one
Synonyms	-
PubChem Id	10298511
Class	Simple aromatic natural products
In-vitro anticancer activity	3 cancer cell lines
In-Vivo anticancer activity	No
Targets	CYP19A1 \| All \|
Properties	Physical Elemental Topological
InChi Key	WVJYEKGQSBGNRP-UHFFFAOYSA-N
InChi	1S/C28H32O6/c1-14(2)7-10-17-20(29)13-21-23(24(17)30)27(33)22-18(11-8-15(3)4)25(31)26(32)19(28(22)34-21)12-9-16(5)6/h7-9,13,29-32H,10-12H2,1-6H3
SMILES	o1c2c(c(c(O)c(O)c2CC=C(C)C)CC=C(C)C)c(=O)c2c1cc(O)c(c2O)CC=C(C)C
SMART	[H]OC1=C([H])C2=C(C(=O)C3=C(C(O[H])=C(O[H])C(=C3O2)C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C(O[H])=C1C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H]
CAS No.	112649-21-5
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C470472
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	NA,
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