Phyto4Health

Calycosin

Representations & DB's id
ChEBI: CHEBI:17793
ChEMBL: CHEMBL241608
PubChem: 5280448
IUPAC: 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one
Standard InChI: InChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3
Standard InChI Key: ZZAJQOPSWWVMBI-UHFFFAOYSA-N
SMILES: COc1ccc(cc1O)c1coc2c(c1=O)ccc(c2)O

Molecular propeties
AlogP: 2.88
Hydrogen bonds acceptors: 5
Hydrogen bonds donors: 2
Rotatable bonds: 2
Number of rings: 3
Molecular Weight: 284.07
Topological polar surface area: 76
Number of aromatic rings: 3
Fsp3: 0.062
Number of carbons: 16

Plant sources

Part of plant Plant name Ref.
PlantTrigonella foenum-graecum
PlantTrigonella foenum-graecum
PlantGlycyrrhiza glabra
PlantGlycyrrhiza uralensis
PlantGlycyrrhiza uralensis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency35481.3 nMLysine-specific demethylase 4D-likeB2RXH2
Potency5623.4 nMRas-related protein Rab-9AP51151
Potency28183.8 nMMicrotubule-associated protein tauP10636
Potency5623.4 nMNiemann-Pick C1 proteinO15118
Potency25118.9 nMDNA polymerase betaP06746
Potency12990 nMATPase family AAA domain-containing protein 5Q96QE3
Potency9196.2 nMATPase family AAA domain-containing protein 5Q96QE3
AC5016138 nMDual specificity tyrosine-phosphorylation-regulated kinase 1AQ63470
Potency12589.3 nMBreast cancer type 1 susceptibility proteinP38398