Structure Database (LMSD)

Common Name
Lathycarpin
Systematic Name
6a-Hydroxy-2,3-dimethoxy-8,9-methylenedioxypterocarpan
Synonyms
LM ID
LMPK12070137
Formula
C18H16O7
Exact Mass
Calculate m/z
344.089605
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
OPUNZSMLSXSMJN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O7/c1-20-13-3-9-11(5-14(13)21-2)22-7-18(19)10-4-15-16(24-8-23-15)6-12(10)25-17(9)18/h3-6,17,19H,7-8H2,1-2H3
SMILES (Click to copy)
C1(OC)C(OC)=CC2C3OC4=CC5OCOC=5C=C4C3(O)COC=2C=1

References

Taxonomy Information

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

Other Databases

HMDB ID
HMDB0034013
CHEBI ID
186287
METABOLOMICS ID
FLIDHXNS0012
PubChem CID
44257491

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 5
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 282.05
Topological Polar Surface Area 83.89
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 2.43
Molar Refractivity 85.36

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Updated at
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