Podofilox

Representations & DB's id
ChEBI:	CHEBI:50305
ChEMBL:	CHEMBL61
PubChem:	10607
IUPAC:	(5R,5aR,8aR,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-XVVDYKMHSA-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	Linum usitatissimum
Fructus	Schisandra chinensis

Activity Type	Activity Value	Target Name	UniProt ID
Potency	28.2 nM	Prelamin-A/C	P02545
Potency	31.6 nM	Prelamin-A/C	P02545
Potency	112.2 nM	Ras-related protein Rab-9A	P51151
Potency	446.7 nM	Survival motor neuron protein	Q16637
Potency	19952.6 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	15.8 nM	Hypoxia-inducible factor 1 alpha	Q16665
Potency	15.8 nM	Hypoxia-inducible factor 1 alpha	Q16665
Potency	501.2 nM	Niemann-Pick C1 protein	O15118
Potency	1995.3 nM	Cytochrome P450 3A4	P08684
Potency	1995.3 nM	Cytochrome P450 3A4	P08684
IC50	14 nM	Glucocorticoid receptor	P04150
Potency	115.8 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	16360.1 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	92 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	35481.3 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	6.5 nM	Geminin	O75496
Potency	4.6 nM	Geminin	O75496
Potency	21.1 nM	Geminin	O75496
Potency	50118.7 nM	Alpha-galactosidase A	P06280
Potency	23.1 nM	Geminin	O75496
Potency	51.7 nM	Geminin	O75496
Potency	100000 nM	Ataxin-2	Q99700
Potency	16.8 nM	Geminin	O75496