5-(3-METHOXY-4-HYDROXYPHENYL)-2,2-DIMETHYL-4-PENTENE-1,3-DIOL

Details

Stereochemistry	RACEMIC
Molecular Formula	C14H20O4
Molecular Weight	252.3062
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 5-(3-METHOXY-4-HYDROXYPHENYL)-2,2-DIMETHYL-4-PENTENE-1,3-DIOL

Structure Search

SMILES

COC1=C(O)C=CC(\C=C\C(O)C(C)(C)CO)=C1

InChI

InChIKey=JDIIPWIMNKCTKV-FNORWQNLSA-N

InChI=1S/C14H20O4/c1-14(2,9-15)13(17)7-5-10-4-6-11(16)12(8-10)18-3/h4-8,13,15-17H,9H2,1-3H3/b7-5+

HIDE SMILES / InChI

Molecular Formula	C14H20O4
Molecular Weight	252.3062
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	1
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:04:24 GMT 2023` Edited by `admin` on `Sat Dec 16 19:04:24 GMT 2023`
Record UNII	3J8Q4F3HH4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-(3-METHOXY-4-HYDROXYPHENYL)-2,2-DIMETHYL-4-PENTENE-1,3-DIOL

Systematic Name

English

(E)-5-(4-HYDROXY-3-METHOXYPHENYL)-2,2-DIMETHYLPENT-4-ENE-1,3-DIOL

Systematic Name

English

STIRIPENTOL METABOLITE VIII

Common Name

English

4-PENTENE-1,3-DIOL, 5-(4-HYDROXY-3-METHOXYPHENYL)-2,2-DIMETHYL-

Systematic Name

English

Code System Code Type Description

CAS

106199-10-4

Created by admin on Sat Dec 16 19:04:25 GMT 2023 , Edited by admin on Sat Dec 16 19:04:25 GMT 2023

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FDA UNII

3J8Q4F3HH4

Created by admin on Sat Dec 16 19:04:25 GMT 2023 , Edited by admin on Sat Dec 16 19:04:25 GMT 2023

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PUBCHEM

156596451

Created by admin on Sat Dec 16 19:04:25 GMT 2023 , Edited by admin on Sat Dec 16 19:04:25 GMT 2023

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Related Record Type Details


					R02XOT8V8I

STIRIPENTOL

PARENT -> METABOLITE INACTIVE

Interaction Type:

IN-VIVO

Qualification:

URINE