YAKKASTERONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H46O3
Molecular Weight	418.6523
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C

InChI

InChIKey=SJZZRXMQSAXCFD-ZCBMJONGSA-N

InChI=1S/C27H46O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-23,28,30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,25-,26-,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H46O3
Molecular Weight	418.6523
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Niemann-Pick C1-like protein 1 2 Target ID: CHEMBL2027 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24928400	Binding Agent 1064		1.7 µM [EC50]

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:54:12 GMT 2023` Edited by `admin` on `Fri Dec 15 18:54:12 GMT 2023`
Record UNII	YO7G6S09N3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

YAKKASTERONE

Common Name

English

CHOLESTAN-6-ONE, 3,5-DIHYDROXY-, (3.BETA.,5.ALPHA.)-

Systematic Name

English

3,5-DIHYDROXYCHOLESTAN-6-ONE, (3BETA,5ALPHA)-

Systematic Name

English

3.BETA.,5.ALPHA.-DIHYDROXYCHOLESTAN-6-ONE

Systematic Name

English

CHOLESTANE-3.BETA.,5.ALPHA.-DIOL-6-ONE

Systematic Name

English

3,5-DIHYDROXYCHOLESTAN-6-ONE, (3.BETA.,5.ALPHA.)-

Systematic Name

English

YS-64

Code

English

5.ALPHA.-HYDROXY-6-KETOCHOLESTANOL

Systematic Name

English

5.ALPHA.-CHOLESTAN-6-ONE, 3.BETA.,5-DIHYDROXY-

Systematic Name

English

Code System Code Type Description

CAS

13027-33-3

Created by admin on Fri Dec 15 18:54:12 GMT 2023 , Edited by admin on Fri Dec 15 18:54:12 GMT 2023

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EPA CompTox

DTXSID80926658

Created by admin on Fri Dec 15 18:54:12 GMT 2023 , Edited by admin on Fri Dec 15 18:54:12 GMT 2023

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PUBCHEM

159461

Created by admin on Fri Dec 15 18:54:12 GMT 2023 , Edited by admin on Fri Dec 15 18:54:12 GMT 2023

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FDA UNII

YO7G6S09N3

Created by admin on Fri Dec 15 18:54:12 GMT 2023 , Edited by admin on Fri Dec 15 18:54:12 GMT 2023

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