Structure Database (LMSD)

Common Name
Sigmoidin B
Systematic Name
2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
Synonyms
LM ID
LMPK12140397
Formula
C20H20O6
Exact Mass
Calculate m/z
356.12599
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/
Erythrina sigmoidea (#1977555)
Magnoliopsida (#3398)
Erythrina studies. Part 1. Novel antibacterial flavanones from Erythrina sigmoidea,
Tetrahedron Letts, 1983

String Representations

InChiKey (Click to copy)
SFQIGPZCFNTPOD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O6/c1-10(2)3-4-11-5-12(6-16(24)20(11)25)17-9-15(23)19-14(22)7-13(21)8-18(19)26-17/h3,5-8,17,21-22,24-25H,4,9H2,1-2H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=C(C/C=C(\C)/C)C=3)CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL2FACNI0003
PubChem CID
11725803

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 327.30
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.72
Molar Refractivity 94.99

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Created at
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Updated at
12th Dec 2025