Phyto4Health

5-Methoxypodophyllotoxin

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL292945
PubChem: 3035544
IUPAC: (5R,5aR,8aR,9R)-5-hydroxy-4-methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Standard InChI: InChI=1S/C23H24O9/c1-26-13-5-10(6-14(27-2)20(13)28-3)16-11-7-15-21(32-9-31-15)22(29-4)18(11)19(24)12-8-30-23(25)17(12)16/h5-7,12,16-17,19,24H,8-9H2,1-4H3/t12-,16+,17-,19+/m0/s1
Standard InChI Key: PDQAOYGENRRPQO-UXDKQJBESA-N
SMILES: COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2OC)O

Molecular propeties

AlogP: 2.42
Hydrogen bonds acceptors: 9
Hydrogen bonds donors: 1
Rotatable bonds: 5
Number of rings: 5
Molecular Weight: 444.14
Topological polar surface area: 102
Number of aromatic rings: 2
Fsp3: 0.435
Number of carbons: 23

Plant sources

Part of plant Plant name Ref.
SemenLinum usitatissimum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.