Structure Database (LMSD)

Common Name
Piscerythramine
Systematic Name
4'-Amino-5,7,3'-trihydroxy-5'-methoxy-2',6'-diprenylisoflavone
Synonyms
LM ID
LMPK12050157
Formula
C26H29NO6
Exact Mass
Calculate m/z
451.199489
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)
FZVQFYVMVHEMPU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H29NO6/c1-13(2)6-8-16-21(17(9-7-14(3)4)26(32-5)23(27)25(16)31)18-12-33-20-11-15(28)10-19(29)22(20)24(18)30/h6-7,10-12,28-29,31H,8-9,27H2,1-5H3
SMILES (Click to copy)
C1(O)C=C2OC=C(C3C(C/C=C(/C)\C)=C(O)C(N)=C(OC)C=3C/C=C(/C)\C)C(=O)C2=C(O)C=1

Other Databases

KEGG ID
C10518
CHEBI ID
8251
METABOLOMICS ID
FLIAA9NIN001
PubChem CID
5281802

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 425.92
Topological Polar Surface Area 126.15
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 6.08
Molar Refractivity 130.26

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Updated at
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