Structure Database (LMSD)
Common Name
Broussochalcone B
Systematic Name
Synonyms
3D model of Broussochalcone B
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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
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
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Created at
-
Updated at
9th Jun 2022