Structure Database (LMSD)

Common Name
2'-Hydroxypiscerythrinetin
Systematic Name
5,7,2'-Trihydroxy-4',5'-dimethoxy-3'-prenylisoflavone
Synonyms
LM ID
LMPK12050295
Formula
C22H22O7
Exact Mass
Calculate m/z
398.136555
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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/

String Representations

InChiKey (Click to copy)
VLMKVYMUJPHEQB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H22O7/c1-11(2)5-6-13-20(25)14(9-18(27-3)22(13)28-4)15-10-29-17-8-12(23)7-16(24)19(17)21(15)26/h5,7-10,23-25H,6H2,1-4H3
SMILES (Click to copy)
C1(O)C=C(O)C2C(=O)C(C3=C(O)C(C/C=C(\C)/C)=C(OC)C(OC)=C3)=COC=2C=1

Other Databases

CHEBI ID
178240
METABOLOMICS ID
FLIAALNI0010
PubChem CID
44257316

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 357.15
Topological Polar Surface Area 109.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 5.00
Molar Refractivity 109.26

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Updated at
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