Structure Database (LMSD)

Common Name
Hildecarpin
Systematic Name
3,6a-Dihydroxy-2-methoxy-8,9-methylenedioxypterocarpan
Synonyms
LM ID
LMPK12070129
Formula
C17H14O7
Exact Mass
Calculate m/z
330.073955
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)
DQXBSJMCLQLJKV-DLBZAZTESA-N
InChi (Click to copy)
InChI=1S/C17H14O7/c1-20-13-2-8-11(4-10(13)18)21-6-17(19)9-3-14-15(23-7-22-14)5-12(9)24-16(8)17/h2-5,16,18-19H,6-7H2,1H3/t16-,17+/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC[C@@]3(O)C4C=C5OCOC5=CC=4O[C@@]3([H])C=2C=C1OC

Other Databases

KEGG ID
C10424
CHEBI ID
5718
METABOLOMICS ID
FLIDHXNS0004
PubChem CID
442773

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 5
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 264.75
Topological Polar Surface Area 94.89
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 2.13
Molar Refractivity 80.47

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Updated at
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