Beta-Peltatin A

Representations & DB's id
ChEBI:	CHEBI:74867
ChEMBL:	CHEMBL97543
PubChem:	92122
IUPAC:	(5aR,8aR,9R)-4-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/c1-25-14-5-10(6-15(26-2)20(14)27-3)17-12-7-16-21(30-9-29-16)19(23)13(12)4-11-8-28-22(24)18(11)17/h5-7,11,17-18,23H,4,8-9H2,1-3H3/t11-,17+,18-/m0/s1
Standard InChI Key:	HLBPOYVRLSXWJJ-PDSMFRHLSA-N
SMILES:	COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2Cc2c1cc1OCOc1c2O

Molecular propeties
AlogP:	2.62
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	Punica granatum
Plant	Punica granatum

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
Potency	11582.1 nM	Nuclear factor erythroid 2-related factor 2	Q16236