CALEBIN A

COC1=CC(\C=C\C(=O)COC(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O

InChIKey=UYEWRTKHKAVRDI-ASVGJQBISA-N

InChI=1S/C21H20O7/c1-26-19-11-14(4-8-17(19)23)3-7-16(22)13-28-21(25)10-6-15-5-9-18(24)20(12-15)27-2/h3-12,23-24H,13H2,1-2H3/b7-3+,10-6+

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:45:46 GMT 2025` Edited by `admin` on `Mon Mar 31 22:45:46 GMT 2025`
Record UNII	U2M09W0E67
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

CALEBIN A

Common Name

English

2-PROPENOIC ACID, 3-(4-HYDROXY-3-METHOXYPHENYL)-, (3E)-4-(4-HYDROXY-3-METHOXYPHENYL)-2-OXO-3-BUTEN-1-YL ESTER, (2E)-

Preferred Name

English

2-PROPENOIC ACID, 3-(4-HYDROXY-3-METHOXYPHENYL)-, (3E)-4-(4-HYDROXY-3-METHOXYPHENYL)-2-OXO-3-BUTENYL ESTER, (2E)-

Systematic Name

English

Code System Code Type Description

CAS

336784-82-8

Created by admin on Mon Mar 31 22:45:46 GMT 2025 , Edited by admin on Mon Mar 31 22:45:46 GMT 2025

PRIMARY

EPA CompTox

DTXSID201318662

Created by admin on Mon Mar 31 22:45:46 GMT 2025 , Edited by admin on Mon Mar 31 22:45:46 GMT 2025

PRIMARY

PUBCHEM

637429

Created by admin on Mon Mar 31 22:45:46 GMT 2025 , Edited by admin on Mon Mar 31 22:45:46 GMT 2025

PRIMARY

FDA UNII

U2M09W0E67

Created by admin on Mon Mar 31 22:45:46 GMT 2025 , Edited by admin on Mon Mar 31 22:45:46 GMT 2025

PRIMARY