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Sennidin A

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL227796
PubChem: 122839
IUPAC: 9-(2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid
Standard InChI: InChI=1S/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)
Standard InChI Key: JPMRHWLJLNKRTJ-UHFFFAOYSA-N
SMILES: Oc1cccc2c1C(=O)c1c(C2C2c3cccc(c3C(=O)c3c2cc(cc3O)C(=O)O)O)cc(cc1O)C(=O)O

Molecular propeties

AlogP: 3.96
Hydrogen bonds acceptors: 8
Hydrogen bonds donors: 6
Rotatable bonds: 3
Number of rings: 6
Molecular Weight: 538.09
Topological polar surface area: 190
Number of aromatic rings: 4
Fsp3: 0
Number of carbons: 30

Plant sources

Part of plant Plant name Ref.
PlantRheum palmatum
PlantRheum palmatum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.