Garcinone E

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL454580
PubChem:	10298511
IUPAC:	2,3,6,8-tetrahydroxy-1,4,7-tris(3-methylbut-2-enyl)xanthen-9-one
Standard InChI:	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
Standard InChI Key:	WVJYEKGQSBGNRP-UHFFFAOYSA-N
SMILES:	CC(=CCc1c(O)c(O)c(c2c1c(=O)c1c(o2)cc(c(c1O)CC=C(C)C)O)CC=C(C)C)C

Molecular propeties
AlogP:	6.29
Hydrogen bonds acceptors:	6
Hydrogen bonds donors:	4
Rotatable bonds:	6
Number of rings:	3
Molecular Weight:	464.22
Topological polar surface area:	107
Number of aromatic rings:	3
Fsp3:	0.357
Number of carbons:	28

Plant sources

Part of plant	Plant name	Ref.
Herba	Hypericum perforatum

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
Others	23.9 %	Cytochrome P450 19A1	P11511
IC50	25100 nM	Cytochrome P450 19A1	P11511
Others	32.3 %	Cytochrome P450 19A1	P11511
Potency	28183.8 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	22387.2 nM	Microtubule-associated protein tau	P10636
Potency	14125.4 nM	MAP kinase ERK2	P28482
Potency	28183.8 nM	Bloom syndrome protein	P54132
Potency	44668.4 nM	DNA polymerase beta	P06746
Potency	50118.7 nM	Lysine-specific demethylase 4A	O75164
Potency	25929 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	50118.7 nM	Bromodomain adjacent to zinc finger domain protein 2B	Q9UIF8
Potency	32629.4 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	25929 nM	Geminin	O75496
Potency	16833.6 nM	Ataxin-2	Q99700
Potency	31622.8 nM	Glucagon-like peptide 1 receptor	P43220
Potency	7079.5 nM	Guanine nucleotide-binding protein G(s), subunit alpha	P63092
Potency	3981.1 nM	Glycoprotein hormones alpha chain	P01215