BONGKREKIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H38O7
Molecular Weight	486.5971
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	7
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@H](C\C=C/C=C/CC\C=C\C[C@H](C)\C=C\C(CC(O)=O)=C/C(O)=O)C(\C)=C/C=C(\C)C(O)=O

InChI

InChIKey=SHCXABJSXUACKU-WUTQZGRKSA-N

InChI=1S/C28H38O7/c1-21(15-18-24(19-26(29)30)20-27(31)32)13-11-9-7-5-6-8-10-12-14-25(35-4)22(2)16-17-23(3)28(33)34/h6,8-12,15-19,21,25H,5,7,13-14,20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)/b8-6+,11-9+,12-10-,18-15+,22-16-,23-17+,24-19+/t21-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H38O7
Molecular Weight	486.5971
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	7
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Simvastatin inducing PC3 prostate cancer cell necrosis mediated by calcineurin and mitochondrial dysfunction.	2008 Aug	18679777
The mitochondrial phosphate carrier interacts with cyclophilin D and may play a key role in the permeability transition.	2008 Sep 26	18667415
ERK signaling leads to mitochondrial dysfunction in extracellular zinc-induced neurotoxicity.	2010 Jul	20412391
Bongkrekic acid as a selective activator of the peroxisome proliferator-activated receptor γ (PPARγ) isoform.	2015 Apr	25786526

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:39:21 GMT 2023` Edited by `admin` on `Sat Dec 16 08:39:21 GMT 2023`
Record UNII	L7V4I673D2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BONGKREKIC ACID

Common Name

English

BONGKREKIC ACID [MI]

Common Name

English

(-)-BONGKREKIC ACID

Common Name

English

2,4,8,10,14,18,20-DOCOSAHEPTAENEDIOIC ACID, 20-(CARBOXYMETHYL)-6-METHOXY-2,5,17-TRIMETHYL-, (2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-

Systematic Name

English

Code System Code Type Description

MERCK INDEX

m2604