Structure Database (LMSD)

Common Name
Gericudranins B
Systematic Name
Synonyms
  • 8-p-hydroxybenzyltaxifolin
LM ID
LMPK12150002
Status
Active
Exact Mass
Calculate m/z
410.10017
Formula
C22H18O8
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Dihydroflavonols [PK1215]

String Representations

InChiKey (Click to copy)
UMBDLCOFFATLCV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H18O8/c23-12-4-1-10(2-5-12)7-13-15(25)9-17(27)18-19(28)20(29)21(30-22(13)18)11-3-6-14(24)16(26)8-11/h1-6,8-9,20-21,23-27,29H,7H2
SMILES (Click to copy)
C1(O)=C(CC2C=CC(O)=CC=2)C2OC(C3C=CC(O)=C(O)C=3)C(O)C(=O)C=2C(O)=C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Maclura tricuspidata (#210328)
Magnoliopsida (#3398)
Cytotoxic benzyl dihydroflavonols from Cudrania tricuspidata.,
Phytochemistry, 1996
Pubmed ID: 8588866

Other Databases

PubChem CID
42608135

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 350.94
Topological Polar Surface Area 149.75
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 8
logP 2.77
Molar Refractivity 104.67

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Updated at
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