Structure Database (LMSD)

Common Name
(-)-Variabilin
Systematic Name
6a-Hydroxy-3,9-dimethoxypterocarpan
Synonyms
  • Homopisatin
LM ID
LMPK12070130
Formula
C17H16O5
Exact Mass
Calculate m/z
300.099775
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)
VVPGAJNPGZZNBM-SJORKVTESA-N
InChi (Click to copy)
InChI=1S/C17H16O5/c1-19-10-3-5-12-14(7-10)21-9-17(18)13-6-4-11(20-2)8-15(13)22-16(12)17/h3-8,16,18H,9H2,1-2H3/t16-,17+/m1/s1
SMILES (Click to copy)
C1(OC)=CC2OC[C@]3(O)C4C=CC(OC)=CC=4O[C@]3([H])C=2C=C1

Other Databases

KEGG ID
C10539
CHEBI ID
123
METABOLOMICS ID
FLIDHXNS0005
PubChem CID
442828

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 259.53
Topological Polar Surface Area 61.29
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 2.70
Molar Refractivity 79.24

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Updated at
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