Phyto4Health

Pallidol

Representations & DB's id

ChEBI: CHEBI:76173
ChEMBL: CHEMBL480462
PubChem: 484757
IUPAC: (4bR,5R,9bR,10R)-5,10-bis(4-hydroxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,1-a]indene-1,3,6,8-tetrol
Standard InChI: InChI=1S/C28H22O6/c29-15-5-1-13(2-6-15)23-25-19(9-17(31)11-21(25)33)28-24(14-3-7-16(30)8-4-14)26-20(27(23)28)10-18(32)12-22(26)34/h1-12,23-24,27-34H/t23-,24-,27+,28+/m1/s1
Standard InChI Key: YNVJOQCPHWKWSO-ZBVBGGFBSA-N
SMILES: Oc1cc(O)c2c(c1)[C@@H]1[C@H]([C@@H]2c2ccc(cc2)O)c2c([C@H]1c1ccc(cc1)O)c(O)cc(c2)O

Molecular propeties

AlogP: 5.08
Hydrogen bonds acceptors: 6
Hydrogen bonds donors: 6
Rotatable bonds: 2
Number of rings: 6
Molecular Weight: 454.14
Topological polar surface area: 121
Number of aromatic rings: 4
Fsp3: 0.143
Number of carbons: 28

Plant sources

Part of plant Plant name Ref.
PlantVitis vinifera

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Others1.01 Estrogen receptor alphaP03372
Others5.23 %Estrogen receptor alphaP03372
Others2.5 Estrogen receptor betaQ92731
Others0 %Estrogen receptor betaQ92731