Phyto4Health

Haemodorose

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL552207
PubChem: 44179651
IUPAC: 7-methoxy-10-phenyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one
Standard InChI: InChI=1S/C25H24O9/c1-31-16-9-13-11-32-24(30)15-8-7-14(12-5-3-2-4-6-12)19(18(13)15)23(16)34-25-22(29)21(28)20(27)17(10-26)33-25/h2-9,17,20-22,25-29H,10-11H2,1H3/t17-,20-,21+,22-,25+/m1/s1
Standard InChI Key: PZTAHEJWBGPZLJ-FHBCLOHASA-N
SMILES: OC[C@H]1O[C@@H](Oc2c(OC)cc3c4c2c(ccc4C(=O)OC3)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: 1.36
Hydrogen bonds acceptors: 9
Hydrogen bonds donors: 4
Rotatable bonds: 5
Number of rings: 5
Molecular Weight: 468.14
Topological polar surface area: 135
Number of aromatic rings: 3
Fsp3: 0.32
Number of carbons: 25

Plant sources

Part of plant Plant name Ref.
PlantDigitalis ferruginea

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.