Afzelin

Representations & DB's id
ChEBI:	CHEBI:80790
ChEMBL:	CHEMBL240528
PubChem:	5316673
IUPAC:	5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Standard InChI:	InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1
Standard InChI Key:	SOSLMHZOJATCCP-AEIZVZFYSA-N
SMILES:	Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O

Molecular propeties
AlogP:	0.78
Hydrogen bonds acceptors:	10
Hydrogen bonds donors:	6
Rotatable bonds:	3
Number of rings:	4
Molecular Weight:	432.11
Topological polar surface area:	166
Number of aromatic rings:	3
Fsp3:	0.286
Number of carbons:	21

Plant sources

Part of plant	Plant name	Ref.
Plant	Pinus sylvestris

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
IC50	100000 nM	Cytochrome P450 3A4	P08684
IC50	100000 nM	Cytochrome P450 2D6	P10635