U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H34O15
Molecular Weight 610.5606
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of HESPERIDIN CHALCONE

SMILES

COC1=CC=C(\C=C\C(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O)C=C1O

InChI

InChIKey=NDTCCAGOOOOBNJ-ZHVSJPNKSA-N
InChI=1S/C28H34O15/c1-11-21(33)23(35)25(37)27(41-11)40-10-19-22(34)24(36)26(38)28(43-19)42-13-8-16(31)20(17(32)9-13)14(29)5-3-12-4-6-18(39-2)15(30)7-12/h3-9,11,19,21-28,30-38H,10H2,1-2H3/b5-3+/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
HESPERIDIN CHALCONE
Common Name English
2-PROPEN-1-ONE, 1-(4-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2,6-DIHYDROXYPHENYL)-3-(3-HYDROXY-4-METHOXYPHENYL)-, (2E)-
Preferred Name English
CHALCONE, 2',3,4',6'-TETRAHYDROXY-4-METHOXY-, 4'-(6-.ALPHA.-L-RHAMNO-.BETA.-D-GLUCOPYRANOSIDE)
Systematic Name English
Code System Code Type Description
CAS
50376-44-8
Created by admin on Tue Apr 01 19:34:58 GMT 2025 , Edited by admin on Tue Apr 01 19:34:58 GMT 2025
PRIMARY
PUBCHEM
89258670
Created by admin on Tue Apr 01 19:34:58 GMT 2025 , Edited by admin on Tue Apr 01 19:34:58 GMT 2025
PRIMARY
FDA UNII
38WK1U12MB
Created by admin on Tue Apr 01 19:34:58 GMT 2025 , Edited by admin on Tue Apr 01 19:34:58 GMT 2025
PRIMARY