Obacunone

Representations & DB's id
ChEBI:	CHEBI:7713
ChEMBL:	CHEMBL404140
PubChem:	119041
IUPAC:	(1R,2R,4S,7S,8S,11R,12R,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione
Standard InChI:	InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1
Standard InChI Key:	MAYJEFRPIKEYBL-OASIGRBWSA-N
SMILES:	O=C1C=C[C@]2([C@H](C(O1)(C)C)CC(=O)[C@@]1([C@@H]2CC[C@@]2([C@]31O[C@@H]3C(=O)O[C@H]2c1ccoc1)C)C)C

Molecular propeties
AlogP:	3.92
Hydrogen bonds acceptors:	7
Hydrogen bonds donors:	0
Rotatable bonds:	1
Number of rings:	6
Molecular Weight:	454.2
Topological polar surface area:	95.3
Number of aromatic rings:	1
Fsp3:	0.654
Number of carbons:	26

Plant sources

Part of plant	Plant name	Ref.
Plant	Prunus laurocerasus
Plant	Salvia officinalis

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
Potency	259.2 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Others	4 %	Monoglyceride lipase	Q99685