Structure Database (LMSD)

HO HO O OH OH O O
Common Name
2'',3''-Dihydroxylupinifolin
Systematic Name
5,4'-Dihydroxy-8-(2,3-dihydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone
Synonyms
LM ID
LMPK12140324
Formula
C25H28O7
Exact Mass
Calculate m/z
440.183505
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
PSOLWKCBNWNCAJ-OYKVQYDMSA-N
InChi (Click to copy)
InChI=1S/C25H28O7/c1-24(2)10-9-15-21(29)20-17(27)12-18(13-5-7-14(26)8-6-13)31-23(20)16(22(15)32-24)11-19(28)25(3,4)30/h5-10,18-19,26,28-30H,11-12H2,1-4H3/t18-,19?/m0/s1
SMILES (Click to copy)
C12C(O)=C3C=CC(C)(C)OC3=C(CC(C(O)(C)C)O)C=1O[C@H](C1C=CC(O)=CC=1)CC2=O

References

Taxonomy Information

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

Other Databases

CHEBI ID
186961
METABOLOMICS ID
FL2FAANP0019
PubChem CID
11048450

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 410.23
Topological Polar Surface Area 120.59
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 4.52
Molar Refractivity 119.82

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Updated at
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