Osajin

Representations & DB's id
ChEBI:	CHEBI:7797
ChEMBL:	CHEMBL238188
PubChem:	95168
IUPAC:	5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
Standard InChI:	InChI=1S/C25H24O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26-27H,10H2,1-4H3
Standard InChI Key:	DCTLJGWMHPGCOS-UHFFFAOYSA-N
SMILES:	CC(=CCc1c2OC(C)(C)C=Cc2c2c(c1O)c(=O)c(co2)c1ccc(cc1)O)C

Molecular propeties
AlogP:	5.56
Hydrogen bonds acceptors:	5
Hydrogen bonds donors:	2
Rotatable bonds:	3
Number of rings:	4
Molecular Weight:	404.16
Topological polar surface area:	76
Number of aromatic rings:	3
Fsp3:	0.24
Number of carbons:	25

Plant sources

Part of plant	Plant name	Ref.
Plant	Rosa roxburghii

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
Potency	35481.3 nM	Prelamin-A/C	P02545
Potency	15848.9 nM	Huntingtin	P42858
Potency	11220.2 nM	Survival motor neuron protein	Q16637
Potency	19952.6 nM	Survival motor neuron protein	Q16637
Potency	31622.8 nM	Microtubule-associated protein tau	P10636
Potency	39810.7 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	25118.9 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	15848.9 nM	Arachidonate 15-lipoxygenase	P16050
Potency	22387.2 nM	Microtubule-associated protein tau	P10636
Potency	19952.6 nM	Microtubule-associated protein tau	P10636
Potency	39810.7 nM	MAP kinase ERK2	P28482
Potency	28183.8 nM	MAP kinase ERK2	P28482
Potency	25118.9 nM	MAP kinase ERK2	P28482
Potency	15848.9 nM	Ubiquitin carboxyl-terminal hydrolase 2	O75604
Potency	31622.8 nM	Cellular tumor antigen p53	P04637
Potency	31622.8 nM	Cellular tumor antigen p53	P04637
Potency	12589.3 nM	Lysosomal alpha-glucosidase	P10253
Potency	10000 nM	Neuropeptide S receptor	Q6W5P4
Potency	25118.9 nM	Cytochrome P450 3A4	P08684
Potency	15848.9 nM	DNA polymerase beta	P06746
Potency	25118.9 nM	Cytochrome P450 3A4	P08684
Potency	1995.3 nM	Beta-glucocerebrosidase	P04062
Potency	28183.8 nM	Lysine-specific demethylase 4A	O75164
Potency	18356.4 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	100000 nM	Eyes absent homolog 2	O00167
Potency	19952.6 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	50118.7 nM	Bromodomain adjacent to zinc finger domain protein 2B	Q9UIF8
Potency	4.6 nM	Geminin	O75496
Potency	25118.9 nM	Ataxin-2	Q99700
Potency	28183.8 nM	Glucagon-like peptide 1 receptor	P43220
Potency	25118.9 nM	Breast cancer type 1 susceptibility protein	P38398
Potency	28183.8 nM	Glycoprotein hormones alpha chain	P01215
IC50	23600 nM	Protein-tyrosine phosphatase 1B	P18031
Ki	29900 nM	Protein-tyrosine phosphatase 1B	P18031

Osajin

Representations & DB's id

Molecular propeties

Plant sources

In vitro data