Structure Database (LMSD)

Common Name
Kurziflavolactone D
Systematic Name
(6R,8R,10R,14S)-rel-(-)-3,4,5,6,9,10,13,14-Octahydro-8,11-dihydroxy-14-phenyl-8-[(1E)-2-phenylethenyl]-6,10-methano-2H,8H,12H-pyrano[3,2-m]-1,7-benzodioxacyclododecin-2,12-dione
Synonyms
LM ID
LMPK12140162
Formula
C32H30O7
Exact Mass
Calculate m/z
526.199155
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Cryptocarya kurzii (#2580227)
Magnoliopsida (#3398)
Flavonone and chalcone derivatives from Cryptocarya kurzii.,
J Nat Prod, 1993
Pubmed ID: 8377019

String Representations

InChiKey (Click to copy)
QEBDFZMXMJQISE-YYFBJFPNSA-N
InChi (Click to copy)
InChI=1S/C32H30O7/c33-24-17-25(21-10-5-2-6-11-21)37-27-18-26-29(31(35)30(24)27)22-16-23(12-7-13-28(34)38-26)39-32(36,19-22)15-14-20-8-3-1-4-9-20/h1-6,8-11,14-15,18,22-23,25,35-36H,7,12-13,16-17,19H2/b15-14+/t22-,23-,25+,32+/m0/s1
SMILES (Click to copy)
C12OC(=O)CCC[C@@H]3O[C@](O)(/C=C/C4C=CC=CC=4)C[C@@H](C1=C(O)C1C(=O)C[C@H](C4C=CC=CC=4)OC=1C=2)C3

Other Databases

METABOLOMICS ID
FL2FA9NC0017
PubChem CID
21592355

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

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Created at
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Updated at
6th Apr 2022