Name: Name:2,4-Cyclohexadien-1-one, 3,5,6-trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(3-methyl-1-oxobutyl)-, (6R)-
Brand: AABLOCKS
SKU: AA002TA6
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA002TA6

Chemical Name: 2,4-Cyclohexadien-1-one, 3,5,6-trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(3-methyl-1-oxobutyl)-, (6R)-

CAS Number: 26472-41-3

Molecular Formula: C21H30O5

Molecular Weight: 362.4599

MDL Number: MFCD00076002

SMILES: CC(=CCC1=C(O)[C@](C(=O)C(=C1O)C(=O)CC(C)C)(O)CC=C(C)C)C

Properties

Complexity: 711

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 1

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 26

Hydrogen Bond Acceptor Count: 5

Hydrogen Bond Donor Count: 3

Isotope Atom Count: 0

Rotatable Bond Count: 7

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 4.2

Literature fold

Title: Hop bitter acids inhibit tumorigenicity of hepatocellular carcinoma cells in vitro.

Journal: Oncology reports20121001

Title: HlPT-1, a membrane-bound prenyltransferase responsible for the biosynthesis of bitter acids in hops.

Journal: Biochemical and biophysical research communications20120106

Title: Xanthohumol induces apoptosis in human malignant glioblastoma cells by increasing reactive oxygen species and activating MAPK pathways.

Journal: Journal of natural products20111227

Title: Bioavailability of hop-derived iso-α-acids and reduced derivatives.

Journal: Food & function20110701

Title: 18O stable isotope labeling, quantitative model experiments, and molecular dynamics simulation studies on the trans-specific degradation of the bitter tasting iso-alpha-acids of beer.

Journal: Journal of agricultural and food chemistry20091125

Title: Deodorant effects of a supercritical hops extract: antibacterial activity against Corynebacterium xerosis and Staphylococcus epidermidis and efficacy testing of a hops/zinc ricinoleate stick in humans through the sensory evaluation of axillary deodorancy.

Journal: Journal of cosmetic dermatology20090901

Title: In vitro evaluation of antibacterial, anticollagenase, and antioxidant activities of hop components (Humulus lupulus) addressing acne vulgaris.

Journal: Phytomedicine : international journal of phytotherapy and phytopharmacology20090401

Title: LC-MS/MS quantitation of hop-derived bitter compounds in beer using the ECHO technique.

Journal: Journal of agricultural and food chemistry20090225

Title: Capillary zone electrophoresis method for determination of bitter (alpha- and beta-) acids in hop (Humulus lupulus L.) cone extracts.

Journal: Advances in medical sciences20090101

Title: Positive antibacterial co-action between hop (Humulus lupulus) constituents and selected antibiotics.

Journal: Phytomedicine : international journal of phytotherapy and phytopharmacology20080301

Title: Humulone inhibits phorbol ester-induced COX-2 expression in mouse skin by blocking activation of NF-kappaB and AP-1: IkappaB kinase and c-Jun-N-terminal kinase as respective potential upstream targets.

Journal: Carcinogenesis20070701

Title: Relevance of organic farming and effect of climatological conditions on the formation of alpha-acids, beta-acids, desmethylxanthohumol, and xanthohumol in hop (Humulus lupulus L.).

Journal: Journal of agricultural and food chemistry20070110

Title: Efficiency of foam fractionation for the enrichment of nonpolar compounds from aqueous extracts of plant materials.

Journal: Journal of natural products20050901

Title: Formation and accumulation of alpha-acids, beta-acids, desmethylxanthohumol, and xanthohumol during flowering of hops (Humulus lupulus L.).

Journal: Journal of agricultural and food chemistry20030716

Title: Suppression of cyclooxygenase-2 gene transcription by humulon.

Journal: Advances in experimental medicine and biology20020101

Title: Inhibition of angiogenesis by humulone, a bitter acid from beer hop.

Journal: Biochemical and biophysical research communications20011123