Phyto4Health

Iridin

Representations & DB's id

ChEBI: CHEBI:5963
ChEMBL: CHEMBL487014
PubChem: 5281777
IUPAC: 5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Standard InChI: InChI=1S/C24H26O13/c1-32-13-5-9(4-11(26)22(13)33-2)10-8-35-12-6-14(23(34-3)19(29)16(12)17(10)27)36-24-21(31)20(30)18(28)15(7-25)37-24/h4-6,8,15,18,20-21,24-26,28-31H,7H2,1-3H3/t15-,18-,20+,21-,24-/m1/s1
Standard InChI Key: LNQCUTNLHUQZLR-OZJWLQQPSA-N
SMILES: OC[C@H]1O[C@@H](Oc2cc3occ(c(=O)c3c(c2OC)O)c2cc(O)c(c(c2)OC)OC)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: 0.08
Hydrogen bonds acceptors: 13
Hydrogen bonds donors: 6
Rotatable bonds: 7
Number of rings: 4
Molecular Weight: 522.14
Topological polar surface area: 194
Number of aromatic rings: 3
Fsp3: 0.375
Number of carbons: 24

Plant sources

Part of plant Plant name Ref.
RhizomeIris germanica

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.