Phyto4Health

Erythrosine

Representations & DB's id
ChEBI: None
ChEMBL: CHEMBL1332616
PubChem: 3259
IUPAC: 3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one
Standard InChI: InChI=1S/C20H8I4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H
Standard InChI Key: OALHHIHQOFIMEF-UHFFFAOYSA-N
SMILES: O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O

Molecular propeties
AlogP: 6.08
Hydrogen bonds acceptors: 5
Hydrogen bonds donors: 2
Rotatable bonds: 0
Number of rings: 5
Molecular Weight: 835.66
Topological polar surface area: 76
Number of aromatic rings: 3
Fsp3: 0.05
Number of carbons: 20

Plant sources

Part of plant Plant name Ref.
PlantCrocus sativus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency11220.2 nMUbiquitin carboxyl-terminal hydrolase 2O75604
Potency14125.4 nMThyroid hormone receptor beta-1P10828
Potency28183.8 nMATP-dependent DNA helicase Q1P46063
Potency501.2 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency39810.7 nMThyroid hormone receptor beta-1P10828
Potency3162.3 nMLethal(3)malignant brain tumor-like protein 1Q9Y468
Potency22387.2 nMBloom syndrome proteinP54132
Potency158489.3 nMRelaxin receptor 1Q9HBX9
Potency8912.5 nMHistone acetyltransferase GCN5Q92830
Potency4466.8 nMHistone acetyltransferase GCN5Q92830
Potency12589.3 nMEyes absent homolog 2O00167
Potency12990 nMATPase family AAA domain-containing protein 5Q96QE3
Potency1584.9 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Potency10000 nMBromodomain adjacent to zinc finger domain protein 2BQ9UIF8
Potency31622.8 nMGlutaminase kidney isoform, mitochondrialO94925