Structure Database (LMSD)

O HO O O OH O O
Common Name
Tephrocarpin
Systematic Name
3,6a-Dihydroxy-4-methoxy-8,9-methylenedioxypterocarpan
Synonyms
LM ID
LMPK12070136
Formula
C17H14O7
Exact Mass
Calculate m/z
330.073955
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)
MWQPAELXDZZOEN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O7/c1-20-15-10(18)3-2-8-14(15)21-6-17(19)9-4-12-13(23-7-22-12)5-11(9)24-16(8)17/h2-5,16,18-19H,6-7H2,1H3
SMILES (Click to copy)
C1(O)C=CC2C3OC4=CC5OCOC=5C=C4C3(O)COC=2C=1OC

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FLIDHXNS0011
PubChem CID
44257490

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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