Structure Database (LMSD)

Common Name
2'-Deoxypiscerythrone
Systematic Name
5,7,4'-Trihydroxy-3'-methoxy-5'-prenylisoflavone
Synonyms
LM ID
LMPK12050255
Formula
C21H20O6
Exact Mass
Calculate m/z
368.12599
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Piscidia (#62113)
Magnoliopsida (#3398)
Two isoflavones from Piscidia erythrina,
Phytochemistry, 1984

String Representations

InChiKey (Click to copy)
SWPGCQOSUJNESS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O6/c1-11(2)4-5-12-6-13(7-18(26-3)20(12)24)15-10-27-17-9-14(22)8-16(23)19(17)21(15)25/h4,6-10,22-24H,5H2,1-3H3
SMILES (Click to copy)
C1(O)C=C(O)C2C(=O)C(C3=CC(C/C=C(\C)/C)=C(O)C(OC)=C3)=COC=2C=1

Other Databases

METABOLOMICS ID
FLIAADNI0001
PubChem CID
20832633

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 331.06
Topological Polar Surface Area 100.13
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 4.99
Molar Refractivity 102.71

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Created at
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Updated at
6th Aug 2025