Structure Database (LMSD)

Common Name
tetra-O-methyl-maesopsin
Systematic Name
Synonyms
LM ID
LMPK13100001
Formula
C19H20O6
Exact Mass
Calculate m/z
344.12599
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Benzofuranoids [PK1310]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Berchemia zeyheri (#992650)
Magnoliopsida (#3398)
Benzofuranoids with carbon frameworks reminiscent of products of benzylic acid rearrangement,
Phytochemistry, 1996

String Representations

InChiKey (Click to copy)
OCWHNYAFFRSGLZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H20O6/c1-21-13-7-5-12(6-8-13)11-19(24-4)18(20)17-15(23-3)9-14(22-2)10-16(17)25-19/h5-10H,11H2,1-4H3
SMILES (Click to copy)
C1(OC)=CC2OC(CC3=CC=C(OC)C=C3)(OC)C(=O)C=2C(OC)=C1

Other Databases

PubChem CID
12587283

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 312.64
Topological Polar Surface Area 65.29
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 3.16
Molar Refractivity 91.45

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Updated at
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