Phyto4Health

Anthraquinone

Representations & DB's id

ChEBI: CHEBI:40448
ChEMBL: CHEMBL55659
PubChem: 6780
IUPAC: anthracene-9,10-dione
Standard InChI: InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
Standard InChI Key: RZVHIXYEVGDQDX-UHFFFAOYSA-N
SMILES: O=C1c2ccccc2C(=O)c2c1cccc2

Molecular propeties

AlogP: 2.46
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 0
Rotatable bonds: 0
Number of rings: 3
Molecular Weight: 208.05
Topological polar surface area: 34.1
Number of aromatic rings: 2
Fsp3: 0
Number of carbons: 14

Plant sources

Part of plant Plant name Ref.
PlantLavandula vera
RhizomaRheum palmatum
RhizomaRheum palmatum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC509510 nMDual specificity phosphatase Cdc25BP30305
Others0 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Potency27306 nMNuclear factor erythroid 2-related factor 2Q16236