Structure Database (LMSD)

Common Name
Ficifolinol
Systematic Name
3,9-Dihydroxy-2,8-diprenylpterocarpan
Synonyms
LM ID
LMPK12070018
Formula
C25H28O4
Exact Mass
Calculate m/z
392.19876
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)
CQWRVMIIOALJMX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O4/c1-14(2)5-7-16-9-18-20-13-28-23-11-21(26)17(8-6-15(3)4)10-19(23)25(20)29-24(18)12-22(16)27/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3
SMILES (Click to copy)
C1(O)C(C/C=C(\C)/C)=CC2C3OC4=CC(O)=C(C/C=C(/C)\C)C=C4C3COC=2C=1

Other Databases

METABOLOMICS ID
FLID1ANI0008
PubChem CID
44257436

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 383.86
Topological Polar Surface Area 63.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 6.01
Molar Refractivity 114.58

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Updated at
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