Phyto4Health

Aviculin

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL2332673
PubChem: 10391477
IUPAC: (2R,3R,4R,5R,6S)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-methyloxane-3,4,5-triol
Standard InChI: InChI=1S/C26H34O10/c1-12-23(30)24(31)25(32)26(36-12)35-11-17-15(10-27)6-14-8-21(34-3)19(29)9-16(14)22(17)13-4-5-18(28)20(7-13)33-2/h4-5,7-9,12,15,17,22-32H,6,10-11H2,1-3H3/t12-,15-,17-,22-,23-,24+,25+,26+/m0/s1
Standard InChI Key: FPJFPMQEUVMUKU-CDDCGRQRSA-N
SMILES: OC[C@@H]1Cc2cc(OC)c(cc2[C@@H]([C@H]1CO[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)OC)O)O

Molecular propeties

AlogP: 0.87
Hydrogen bonds acceptors: 10
Hydrogen bonds donors: 6
Rotatable bonds: 7
Number of rings: 4
Molecular Weight: 506.22
Topological polar surface area: 158
Number of aromatic rings: 2
Fsp3: 0.538
Number of carbons: 26

Plant sources

Part of plant Plant name Ref.
PlantPolygonum aviculare
PlantPolygonum aviculare

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.