PARATOCARPIN B

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H26O4
Molecular Weight	390.4715
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)=CCC1=C(O)C=CC(\C=C\C(=O)C2=C(O)C3=C(OC(C)(C)C=C3)C=C2)=C1

InChI

InChIKey=WRNYEZGVIHDIGH-YRNVUSSQSA-N

InChI=1S/C25H26O4/c1-16(2)5-8-18-15-17(6-10-21(18)26)7-11-22(27)19-9-12-23-20(24(19)28)13-14-25(3,4)29-23/h5-7,9-15,26,28H,8H2,1-4H3/b11-7+

HIDE SMILES / InChI

Molecular Formula	C25H26O4
Molecular Weight	390.4715
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:53:29 UTC 2023` Edited by `admin` on `Sat Dec 16 02:53:29 UTC 2023`
Record UNII	0536M66IHB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PARATOCARPIN B

Common Name

English

2-PROPEN-1-ONE, 1-(5-HYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-YL)-3-(4-HYDROXY-3-(3-METHYL-2-BUTEN-1-YL)PHENYL)-, (2E)-

Systematic Name

English

Code System Code Type Description

CAS

161099-57-6

Created by admin on Sat Dec 16 02:53:29 UTC 2023 , Edited by admin on Sat Dec 16 02:53:29 UTC 2023

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PUBCHEM

42607541

Created by admin on Sat Dec 16 02:53:29 UTC 2023 , Edited by admin on Sat Dec 16 02:53:29 UTC 2023

PRIMARY

FDA UNII

0536M66IHB

Created by admin on Sat Dec 16 02:53:29 UTC 2023 , Edited by admin on Sat Dec 16 02:53:29 UTC 2023

PRIMARY

Related Record Type Details


					2788Z9758H

GLYCYRRHIZA GLABRA

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

A group of neolignan lipid esters and phenolic compounds isolated from the roots and stolons of liquorice (Glycyrrhiza glabra) were found to have chemopreventive properties. Of these compounds, hispaglabridin B isoliquiritigenin, and paratocarpin B were found to be the most potent anti-oxidant agents (Chin et al. 2007).