Structure Database (LMSD)

Common Name
Gericudranins A
Systematic Name
Synonyms
  • 6,8-di-p-hydroxybenzyltaxifolin
LM ID
LMPK12150001
Formula
C29H24O9
Exact Mass
Calculate m/z
516.142035
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

String Representations

InChiKey (Click to copy)
NSDIRDXLZWLHAL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H24O9/c30-17-6-1-14(2-7-17)11-19-24(34)20(12-15-3-8-18(31)9-4-15)29-23(25(19)35)26(36)27(37)28(38-29)16-5-10-21(32)22(33)13-16/h1-10,13,27-28,30-35,37H,11-12H2
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)=C1CC1C=CC(O)=CC=1

Other Databases

PubChem CID
10436583

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 5
Aromatic Rings 4
Rotatable Bonds 5
Van der Waals Molecular Volume 449.65
Topological Polar Surface Area 169.98
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 9
logP 4.07
Molar Refractivity 135.59

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Updated at
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