ADLUPULONE

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NCATS

Details

Stereochemistry	UNKNOWN
Molecular Formula	C26H38O4
Molecular Weight	414.5775
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ADLUPULONE

Structure Search

SMILES

CCC(C)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O

InChI

InChIKey=QXPOWGXRDUFAQW-UHFFFAOYSA-N

InChI=1S/C26H38O4/c1-9-19(8)22(27)21-23(28)20(11-10-16(2)3)24(29)26(25(21)30,14-12-17(4)5)15-13-18(6)7/h10,12-13,19,28-29H,9,11,14-15H2,1-8H3

HIDE SMILES / InChI

Molecular Formula	C26H38O4
Molecular Weight	414.5775
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:52:56 GMT 2023` Edited by `admin` on `Sat Dec 16 11:52:56 GMT 2023`
Record UNII	O2S4D7K08Y
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ADLUPULONE

Common Name

English

2,4-CYCLOHEXADIEN-1-ONE, 3,5-DIHYDROXY-4,6,6-TRIS(3-METHYL-2-BUTEN-1-YL)-2-(2-METHYL-1-OXOBUTYL)-

Systematic Name

English

4-CYCLOHEXENE-1,3-DIONE, 5-HYDROXY-2,2,6-TRIS(3-METHYL-2-BUTEN-1-YL)-4-(2-METHYL-1-OXOBUTYL)-

Systematic Name

English

Code System Code Type Description

CAS

28374-71-2

Created by admin on Sat Dec 16 11:52:56 GMT 2023 , Edited by admin on Sat Dec 16 11:52:56 GMT 2023

PRIMARY

CAS

35049-54-8

Created by admin on Sat Dec 16 11:52:56 GMT 2023 , Edited by admin on Sat Dec 16 11:52:56 GMT 2023

ALTERNATIVE

CHEBI

134352

Created by admin on Sat Dec 16 11:52:56 GMT 2023 , Edited by admin on Sat Dec 16 11:52:56 GMT 2023

PRIMARY

CAS

468-26-8

Created by admin on Sat Dec 16 11:52:56 GMT 2023 , Edited by admin on Sat Dec 16 11:52:56 GMT 2023

ALTERNATIVE

GRAS Notification (GRN No.)

63

Created by admin on Sat Dec 16 11:52:56 GMT 2023 , Edited by admin on Sat Dec 16 11:52:56 GMT 2023

PRIMARY

EPA CompTox

DTXSID601121235

Created by admin on Sat Dec 16 11:52:56 GMT 2023 , Edited by admin on Sat Dec 16 11:52:56 GMT 2023

PRIMARY

PUBCHEM

9909740

Created by admin on Sat Dec 16 11:52:56 GMT 2023 , Edited by admin on Sat Dec 16 11:52:56 GMT 2023

PRIMARY

FDA UNII

O2S4D7K08Y

Created by admin on Sat Dec 16 11:52:56 GMT 2023 , Edited by admin on Sat Dec 16 11:52:56 GMT 2023

PRIMARY