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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H26O12
Molecular Weight 578.5202
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ECHINACIN

SMILES

O[C@@H]1[C@@H](COC(=O)\C=C\C2=CC=C(O)C=C2)O[C@@H](OC3=CC(O)=C4C(=O)C=C(OC4=C3)C5=CC=C(O)C=C5)[C@H](O)[C@H]1O

InChI

InChIKey=WPQRDUGBKUNFJW-ZZSHFKPLSA-N
InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-13,24,27-33,36-38H,14H2/b10-3+/t24-,27-,28+,29-,30-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ECHINACIN
INCI  
INCI  
Official Name English
2-PROPENOIC ACID, 3-(4-HYDROXYPHENYL)-, 6'-ESTER WITH 7-(.BETA.-D-GLUCOPYRANOSYLOXY)-5-HYDROXY-2-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE, (E)-
Common Name English
ECHINACIN (GLYCOSIDE)
Common Name English
APIGENIN 7-O-(6''-O-P-COUMAROYLGLUCOSIDE)
Common Name English
4H-1-BENZOPYRAN-4-ONE, 5-HYDROXY-2-(4-HYDROXYPHENYL)-7-((6-O-((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-
Common Name English
ECHINACIN [INCI]
Common Name English
4H-1-BENZOPYRAN-4-ONE, 5-HYDROXY-2-(4-HYDROXYPHENYL)-7-((6-O-((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPENYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID001021352
Created by admin on Fri Dec 15 18:51:31 GMT 2023 , Edited by admin on Fri Dec 15 18:51:31 GMT 2023
PRIMARY
CAS
105815-90-5
Created by admin on Fri Dec 15 18:51:31 GMT 2023 , Edited by admin on Fri Dec 15 18:51:31 GMT 2023
PRIMARY
PUBCHEM
6439941
Created by admin on Fri Dec 15 18:51:31 GMT 2023 , Edited by admin on Fri Dec 15 18:51:31 GMT 2023
PRIMARY
FDA UNII
J64J7O64HY
Created by admin on Fri Dec 15 18:51:31 GMT 2023 , Edited by admin on Fri Dec 15 18:51:31 GMT 2023
PRIMARY