LUPULON

CC(C)CC(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(CC=C(C)C)=C1O

InChIKey=WPVSVIXDXMNGGN-UHFFFAOYSA-N

InChI=1S/C26H38O4/c1-16(2)9-10-20-23(28)22(21(27)15-19(7)8)25(30)26(24(20)29,13-11-17(3)4)14-12-18(5)6/h9,11-12,19,28,30H,10,13-15H2,1-8H3

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Targets

Primary Target	Pharmacology	Potency
cell growth 21 Target ID: GO:0016049 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24168111	Inhibitor 8297	5.0 µM [IC50]
nitric oxide biosynthetic process 17 Target ID: GO:0006809 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15679315	Inhibitor 8297	17.0 µM [IC50]
TRAIL-activated apoptotic signaling pathway 3 Target ID: GO:0036462 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18726190	Activator 1430

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:38:15 GMT 2023` Edited by `admin` on `Fri Dec 15 17:38:15 GMT 2023`
Record UNII	B7425USG94
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

LUPULON

Common Name

English

LUPULON [MI]

Common Name

English

3,5-DIHYDROXY-2,6,6-TRIS(3-METHYLBUTEN-2-YL)-4-(3-METHYL-1-OXOBUTYL)CYCLOHEXA-2,4-DIEN-1-ONE

Systematic Name

English

LUPULONE

Common Name

English

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

Systematic Name

English

.BETA.-BITTER ACID

Common Name

English

.BETA.-LUPULIC ACID

Common Name

English

Code System Code Type Description

GRAS Notification (GRN No.)

63