Structure Database (LMSD)

Common Name
Glycyrin
Systematic Name
3-(2,4-Dihydroxyphenyl)-5,7-dimethoxy-6-prenylcoumarin
Synonyms
LM ID
LMPK12160017
Formula
C22H22O6
Exact Mass
Calculate m/z
382.14164
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Other Flavonoids [PK1216]

String Representations

InChiKey (Click to copy)
FWWGXZYUURXJLK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H22O6/c1-12(2)5-7-15-19(26-3)11-20-17(21(15)27-4)10-16(22(25)28-20)14-8-6-13(23)9-18(14)24/h5-6,8-11,23-24H,7H2,1-4H3
SMILES (Click to copy)
C1(OC)C(C/C=C(\C)/C)=C(OC)C2C=C(C3=CC=C(O)C=C3O)C(=O)OC=2C=1

References

Taxonomy Information

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

Other Databases

HMDB ID
HMDB0033712
CHEBI ID
69086
METABOLOMICS ID
FLIHALNI0001
PubChem CID
480787

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 348.36
Topological Polar Surface Area 89.13
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 5.30
Molar Refractivity 107.60

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Updated at
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