Structure Database (LMSD)

Common Name
2-Prenyl-6a-hydroxyphaseollidin
Systematic Name
3,6a,9-Trihydroxy-2,10-diprenylpterocarpan
Synonyms
LM ID
LMPK12070122
Formula
C25H28O5
Exact Mass
Calculate m/z
408.193675
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Pterocarpans [PK1207]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
ZAAKSBRPXNODLV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O5/c1-14(2)5-7-16-11-18-22(12-21(16)27)29-13-25(28)19-9-10-20(26)17(8-6-15(3)4)23(19)30-24(18)25/h5-6,9-12,24,26-28H,7-8,13H2,1-4H3
SMILES (Click to copy)
C1(O)=CC2OCC3(O)C4C=CC(O)=C(C/C=C(/C)\C)C=4OC3C=2C=C1C/C=C(\C)/C

Other Databases

METABOLOMICS ID
FLIDHXNI0010
PubChem CID
44257484

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 392.65
Topological Polar Surface Area 83.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 5.11
Molar Refractivity 115.73

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Updated at
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