Picropodophyllotoxin

Representations & DB's id
ChEBI:	CHEBI:75251
ChEMBL:	CHEMBL283120
PubChem:	72435
IUPAC:	(5R,5aR,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Standard InChI:	InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19+,20-/m0/s1
Standard InChI Key:	YJGVMLPVUAXIQN-HAEOHBJNSA-N
SMILES:	COc1cc(cc(c1OC)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O

Molecular propeties
AlogP:	2.41
Hydrogen bonds acceptors:	8
Hydrogen bonds donors:	1
Rotatable bonds:	4
Number of rings:	5
Molecular Weight:	414.13
Topological polar surface area:	92.7
Number of aromatic rings:	2
Fsp3:	0.409
Number of carbons:	22

Plant sources

Part of plant	Plant name	Ref.
Plant	Juniperus sabina

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
Potency	9200 nM	Nuclear factor erythroid 2-related factor 2	Q16236