Acacetin

Representations & DB's id
ChEBI:	CHEBI:15335
ChEMBL:	CHEMBL243664
PubChem:	5280442
IUPAC:	5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
Standard InChI:	InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
Standard InChI Key:	DANYIYRPLHHOCZ-UHFFFAOYSA-N
SMILES:	COc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O

Molecular propeties
AlogP:	2.88
Hydrogen bonds acceptors:	5
Hydrogen bonds donors:	2
Rotatable bonds:	2
Number of rings:	3
Molecular Weight:	284.07
Topological polar surface area:	76
Number of aromatic rings:	3
Fsp3:	0.062
Number of carbons:	16

Plant sources

Part of plant	Plant name	Ref.
Fructus	Foeniculum vulgare
Strobilus	Humulus lupulus

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
IC50	40 ug/ml	Epidermal growth factor receptor erbB1	P00533
Others	14.1 %	Salivary alpha-amylase	P04745
Others	2	Peroxisome proliferator-activated receptor gamma	P37231
Others	7.7	Peroxisome proliferator-activated receptor gamma	P37231
Others	2.3	Peroxisome proliferator-activated receptor alpha	Q07869
Others	5.2	Peroxisome proliferator-activated receptor alpha	Q07869
IC50	1000000 nM	Sialidase 2	Q9Y3R4
IC50	251 nM	Cytochrome P450 1A2	P05177
IC50	86 nM	Cytochrome P450 1A1	P04798
IC50	12 nM	Cytochrome P450 1B1	Q16678
Potency	14125.4 nM	Prelamin-A/C	P02545
Potency	3162.3 nM	Ras-related protein Rab-9A	P51151
Potency	14125.4 nM	Survival motor neuron protein	Q16637
Potency	25118.9 nM	Survival motor neuron protein	Q16637
Potency	25118.9 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	1000 nM	Cytochrome P450 2C19	P33261
Potency	3548.1 nM	Microtubule-associated protein tau	P10636
Potency	3548.1 nM	Microtubule-associated protein tau	P10636
Potency	794.3 nM	Hypoxia-inducible factor 1 alpha	Q16665
Potency	1584.9 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	3548.1 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	39810.7 nM	Microtubule-associated protein tau	P10636
Potency	794.3 nM	Hypoxia-inducible factor 1 alpha	Q16665
Potency	39810.7 nM	Microtubule-associated protein tau	P10636
Potency	39810.7 nM	MAP kinase ERK2	P28482
Potency	12589.3 nM	Ubiquitin carboxyl-terminal hydrolase 2	O75604
Potency	5623.4 nM	Niemann-Pick C1 protein	O15118
Potency	31622.8 nM	Cellular tumor antigen p53	P04637
Potency	25118.9 nM	Cellular tumor antigen p53	P04637
Potency	3162.3 nM	Cytochrome P450 3A4	P08684
Potency	2511.9 nM	Cytochrome P450 3A4	P08684
Potency	12589.3 nM	Cytochrome P450 2D6	P10635
Potency	7943.3 nM	Cytochrome P450 3A4	P08684
Potency	1258.9 nM	Cytochrome P450 2C9	P11712
Potency	3162.3 nM	Cytochrome P450 3A4	P08684
Potency	2511.9 nM	Cytochrome P450 3A4	P08684
Potency	7943.3 nM	Cytochrome P450 3A4	P08684
Potency	2908.1 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	5623.4 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Others	15.9 %	Cytochrome P450 1A1	P04798
Potency	22387.2 nM	Ataxin-2	Q99700
Potency	11220.2 nM	Ataxin-2	Q99700
Potency	17782.8 nM	Breast cancer type 1 susceptibility protein	P38398
Others	6	Peroxisome proliferator-activated receptor delta	Q03181
Others	3.4	Peroxisome proliferator-activated receptor delta	Q03181

Acacetin

Representations & DB's id

Molecular propeties

Plant sources

In vitro data