Structure Database (LMSD)

Common Name
4-Hydroxymedicarpin
Systematic Name
Synonyms
LM ID
LMPK12070074
Formula
C16H14O5
Exact Mass
Calculate m/z
286.084125
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)
YRFDJOAWSXSLMG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H14O5/c1-19-8-2-3-9-11-7-20-16-10(4-5-12(17)14(16)18)15(11)21-13(9)6-8/h2-6,11,15,17-18H,7H2,1H3
SMILES (Click to copy)
C1(O)C=CC2C3OC4=CC(OC)=CC=C4C3COC=2C=1O

Other Databases

HMDB ID
HMDB0034012
CHEBI ID
174729
METABOLOMICS ID
FLID3ANS0003
PubChem CID
11536537

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 242.23
Topological Polar Surface Area 72.29
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 3.00
Molar Refractivity 74.86

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Updated at
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