1,6,6-Trimethyl-2,7,8,9-Tetrahydro-1H-Naphtho[1,2-G][1]Benzofuran-10,11-Dione

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL1518673
PubChem:	496348
IUPAC:	1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione
Standard InChI:	InChI=1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3
Standard InChI Key:	GVKKJJOMQCNPGB-UHFFFAOYSA-N
SMILES:	CC1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C

Molecular propeties
AlogP:	3.44
Hydrogen bonds acceptors:	3
Hydrogen bonds donors:	0
Rotatable bonds:	0
Number of rings:	4
Molecular Weight:	296.14
Topological polar surface area:	43.4
Number of aromatic rings:	1
Fsp3:	0.368
Number of carbons:	19

Plant sources

Part of plant	Plant name	Ref.
Plant	Salvia sclarea
Plant	Salvia sclarea

Activity Type	Activity Value	Target Name	UniProt ID
Potency	12589.3 nM	ATP-dependent DNA helicase Q1	P46063
Potency	25118.9 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	35481.3 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	25118.9 nM	Caspase-7	P55210
Potency	17782.8 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	14125.4 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	12589.3 nM	Microtubule-associated protein tau	P10636
Potency	3548.1 nM	Microtubule-associated protein tau	P10636
Potency	22387.2 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	10000 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	7943.3 nM	Microtubule-associated protein tau	P10636
Potency	12589.3 nM	Microtubule-associated protein tau	P10636
Potency	19952.6 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	28183.8 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	39810.7 nM	Bloom syndrome protein	P54132
Potency	15848.9 nM	Cytochrome P450 3A4	P08684
Potency	15848.9 nM	Cytochrome P450 3A4	P08684
Potency	100000 nM	ATP-dependent DNA helicase Q1	P46063
Potency	28183.8 nM	Histone acetyltransferase GCN5	Q92830
Potency	28183.8 nM	Histone acetyltransferase GCN5	Q92830
Potency	7079.5 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	25118.9 nM	Arachidonate 15-lipoxygenase, type II	O15296