APOCHOLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H38O4
Molecular Weight	390.5561
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CCC2=C3CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O

InChI

InChIKey=XWJTYEGVQBFZHI-IMPNNSMHSA-N

InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-16,18,20-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,20+,21+,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H38O4
Molecular Weight	390.5561
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/13831121 | https://www.jstage.jst.go.jp/article/biochemistry1922/46/6/46_6_807/_article

Apocholic acid is a product of mild dehydration of cholic acid. Apocholic acid is powerful complexing and enolizing agent, giving stable addition-compounds (“choleric acids”) with numerous organic molecules. It was shown, that apocholic acid is able to produce tumors in situ. Apocholic acid was found to have a decreasing effect on the cholesterol level of both the plasma and the liver of rats.

Originator

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Hypercholesterolemia 47 Sources: https://www.jstage.jst.go.jp/article/biochemistry1922/46/6/46_6_807/_article	Primary		Preclinical	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Carcinogenic activity of apocholic acid.	1961 Jun 10	13831121

Patents

Sample Use Guides

In Vivo Use Guide

Rat: 10 mg per rat daily

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:31:51 GMT 2023` Edited by `admin` on `Fri Dec 15 18:31:51 GMT 2023`
Record UNII	MZW7515V5Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

APOCHOLIC ACID

Common Name

English

NSC-31615

Code

English

CHOL-8(14)-EN-24-OIC ACID, 3,12-DIHYDROXY-, (3.ALPHA.,5.BETA.,12.ALPHA.)-

Common Name

English

3.ALPHA.,12.ALPHA.-DIHYDROXY-5.BETA.-CHOL-8(14)-EN-24-OIC ACID

Systematic Name

English

5.BETA.-CHOL-8(14)-ENIC ACID, 3.ALPHA.,12.ALPHA.-DIHYDROXY-

Common Name

English

NSC-18170

Code

English

5.BETA.-CHOL-8(14)-EN-24-OIC ACID, 3.ALPHA.,12.ALPHA.-DIHYDROXY-

Common Name

English

Code System Code Type Description

NSC

18170