Structure Database (LMSD)
Common Name
Kurziflavolactone B
Systematic Name
(2S,12R,14R,16R)-rel-(-)-2,3,9,10,11,12,15,16-Octahydro-5,14-dihydroxy-2-phenyl-14-[(1E)-2-phenylethenyl]-2,16-methano-4H,8H,14H-pyrano[2,3-l][1,7]benzodioxacyclododecin-4,8-dione
Synonyms
3D model of Kurziflavolactone B
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
OBHPJLGLCYCFQD-BPIPNUHISA-N
InChi (Click to copy)
InChI=1S/C32H30O7/c33-24-17-26(21-10-5-2-6-11-21)38-31-29-22-16-23(12-7-13-28(35)37-27(29)18-25(34)30(24)31)39-32(36,19-22)15-14-20-8-3-1-4-9-20/h1-6,8-11,14-15,18,22-23,26,34,36H,7,12-13,16-17,19H2/b15-14+/t22-,23-,26+,32+/m1/s1
SMILES (Click to copy)
C12OC(=O)CCC[C@@H]3C[C@@H](C=1C1O[C@H](C4C=CC=CC=4)CC(=O)C=1C(O)=C2)C[C@@](/C=C/C1C=CC=CC=1)(O)O3
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Cryptocarya kurzii
(#2580227)
Magnoliopsida
(#3398)
Flavonone and chalcone derivatives from Cryptocarya kurzii.,
J Nat Prod, 1993
J Nat Prod, 1993
Pubmed ID:
8377019
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
39
Rings
6
Aromatic Rings
3
Rotatable Bonds
3
Van der Waals Molecular Volume
485.15
Topological Polar Surface Area
108.50
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
7
logP
6.43
Molar Refractivity
144.65
Admin
Created at
-
Updated at
6th Apr 2022