(Z)-1-[6-[(3-Acetyl-2,4,6-Trihydroxy-5-Methylphenyl)Methyl]-5,7-Dihydroxy-2,2-Dimethylchromen-8-Yl]-3-Phenylprop-2-En-1-One

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL1330502
PubChem:	6603986
IUPAC:	(Z)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one
Standard InChI:	InChI=1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3/b11-10-
Standard InChI Key:	DEZFNHCVIZBHBI-KHPPLWFESA-N
SMILES:	O=C(c1c(O)c(Cc2c(O)c(C)c(c(c2O)C(=O)C)O)c(c2c1OC(C)(C)C=C2)O)/C=Cc1ccccc1

Molecular propeties
AlogP:	5.4
Hydrogen bonds acceptors:	8
Hydrogen bonds donors:	5
Rotatable bonds:	6
Number of rings:	4
Molecular Weight:	516.18
Topological polar surface area:	145
Number of aromatic rings:	3
Fsp3:	0.2
Number of carbons:	30

Plant sources

Part of plant	Plant name	Ref.
Plant	Verbascum thapsus
Plant	Verbascum thapsus

Activity Type	Activity Value	Target Name	UniProt ID
Potency	794.3 nM	Nuclear factor NF-kappa-B p105 subunit	P19838
Potency	31622.8 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	19952.6 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	14125.4 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	1995.3 nM	Cytochrome P450 2C19	P33261
Potency	15848.9 nM	Microtubule-associated protein tau	P10636
Potency	22387.2 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	39810.7 nM	Arachidonate 15-lipoxygenase	P16050
Potency	44668.4 nM	Microtubule-associated protein tau	P10636
Potency	39810.7 nM	Arachidonate 12-lipoxygenase	P18054
Potency	794.3 nM	Nuclear factor NF-kappa-B p105 subunit	P19838
Potency	31622.8 nM	Ubiquitin carboxyl-terminal hydrolase 2	O75604
Potency	2511.9 nM	Thrombopoietin	P40225
Potency	39810.7 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	12589.3 nM	Cellular tumor antigen p53	P04637
Potency	1000 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	12589.3 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	6309.6 nM	Cytochrome P450 3A4	P08684
Potency	2511.9 nM	Thrombopoietin	P40225
Potency	631 nM	Cytochrome P450 2C9	P11712
Potency	6309.6 nM	Cytochrome P450 3A4	P08684
Potency	35481.3 nM	Histone acetyltransferase GCN5	Q92830
Potency	1000 nM	Arachidonate 15-lipoxygenase, type II	O15296