ALLOPREGNANEDIOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H36O2
Molecular Weight	320.5093
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[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)O

InChI

InChIKey=YWYQTGBBEZQBGO-CGVINKDUSA-N

InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15+,16-,17+,18-,19-,20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H36O2
Molecular Weight	320.5093
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
Aldo-keto reductase family 1 member C1 4 Target ID: CHEMBL5905 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12604236 \| https://www.ncbi.nlm.nih.gov/pubmed/19007763	Substrate 661

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:10:20 GMT 2023` Edited by `admin` on `Sat Dec 16 08:10:20 GMT 2023`
Record UNII	97N2Q625GO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALLOPREGNANEDIOL

Common Name

English

PREGNANE-3,20-DIOL, (3.ALPHA.,5.ALPHA.,20S)-

Systematic Name

English

ALLOPREGNANE-3.ALPHA.,20.ALPHA.-DIOL

Common Name

English

ALLOPREGNANE-3.ALPHA.,20.ALPHA.-DIOL [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m1529