Structure Database (LMSD)

Common Name
(-)-Medicarpin
Systematic Name
Synonyms
LM ID
LMPK12070028
Formula
C16H14O4
Exact Mass
Calculate m/z
270.08921
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)
NSRJSISNDPOJOP-BBRMVZONSA-N
InChi (Click to copy)
InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC[C@@]3([H])C4C=CC(OC)=CC=4O[C@@]3([H])C=2C=C1

Other Databases

KEGG ID
C10503
CHEBI ID
100
METABOLOMICS ID
FLID1ANS0001
PubChem CID
336327

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 4
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 233.44
Topological Polar Surface Area 52.06
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 3.30
Molar Refractivity 73.20

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Updated at
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