Phyto4Health

Procyanidin B2

Representations & DB's id

ChEBI: CHEBI:75632
ChEMBL: CHEMBL38714
PubChem: 122738
IUPAC: (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
Standard InChI: InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1
Standard InChI Key: XFZJEEAOWLFHDH-NFJBMHMQSA-N
SMILES: Oc1cc(O)c2c(c1)O[C@@H]([C@@H]([C@H]2c1c(O)cc(c2c1O[C@@H]([C@@H](C2)O)c1ccc(c(c1)O)O)O)O)c1ccc(c(c1)O)O

Molecular propeties

AlogP: 3
Hydrogen bonds acceptors: 12
Hydrogen bonds donors: 10
Rotatable bonds: 3
Number of rings: 6
Molecular Weight: 578.14
Topological polar surface area: 221
Number of aromatic rings: 4
Fsp3: 0.2
Number of carbons: 30

Plant sources

Part of plant Plant name Ref.
PlantVitis vinifera
PlantVitis vinifera
PlantVitis vinifera
PlantHypericum perforatum
PlantArachis hypogaea
PlantArachis hypogaea
PlantVaccinium vitis-idaea
PlantVaccinium vitis-idaea
PlantPinus sylvestris
PlantHumulus lupulus
PlantHumulus lupulus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.