ECHINACIN

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 Search

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

Molecular Formula	C30H26O12
Molecular Weight	578.5202
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:51:31 GMT 2023` Edited by `admin` on `Fri Dec 15 18:51:31 GMT 2023`
Record UNII	J64J7O64HY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ECHINACIN

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

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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

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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

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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

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