Structure Database (LMSD)

Common Name
Broussochalcone B
Systematic Name
Synonyms
LM ID
LMPK12120045
Formula
Exact Mass
Calculate m/z
324.13616
Status
Curated


Classification

Biological Context

Bavachalcone is a polyketide synthase-derived chalcone and flavonoid that has been found in P. corylifolia and has diverse biological activities.1,2,3,4,5 It inhibits α-glucosidase and the UDP-glucuronosyltransferase (UGT) isoforms UGT1A1 and UGT1A7 (IC50s = 11.1, 11.3, and 3.6 µM, respectively).2,3 Bavachalcone is cytotoxic to K562 chronic myeloid leukemia cells (IC50 = 2.77 µM).4 It inhibits RANKL-induced osteoclastogenesis of isolated mouse bone marrow-derived macrophages (BMDMs) when used at a concentration of 5 µg/ml.5

This information has been provided by Cayman Chemical

References

3. Shan, L., Yang, S., Zhang, G., et al. Comparison of the inhibitory potential of bavachalcone and corylin against UDP-glucuronosyltransferases. Evid. Based Complement. Alternat. Med. 958937 (2014).

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
BLZGPHNVMRXDCB-UXBLZVDNSA-N
InChi (Click to copy)
InChI=1S/C20H20O4/c1-13(2)3-7-15-11-17(20(24)12-19(15)23)18(22)10-6-14-4-8-16(21)9-5-14/h3-6,8-12,21,23-24H,7H2,1-2H3/b10-6+
SMILES (Click to copy)
C1=CC(O)=CC=C1/C=C/C(=O)C1C(O)=CC(O)=C(C/C=C(\C)/C)C=1

Other Databases

CHEBI ID
METABOLOMICS ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 2
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 319.44
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.21
Molar Refractivity 94.38

Admin

Created at
-
Updated at
9th Jun 2022