Structure Database (LMSD)

Common Name
7-O-Methyllicoricidin
Systematic Name
(+)-2',4'-Dihydroxy-5,7-dimethoxy-6,3'-diprenylisoflavan
Synonyms
  • Licorisoflavan A
LM ID
LMPK12080046
Formula
C27H34O5
Exact Mass
Calculate m/z
438.240625
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavans [PK1208]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
GDAAEAXMNLVRCZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H34O5/c1-16(2)7-9-20-23(28)12-11-19(26(20)29)18-13-22-25(32-15-18)14-24(30-5)21(27(22)31-6)10-8-17(3)4/h7-8,11-12,14,18,28-29H,9-10,13,15H2,1-6H3
SMILES (Click to copy)
C1(OC)=CC2OCC(C3C(O)=C(C/C=C(\C)/C)C(O)=CC=3)CC=2C(OC)=C1C/C=C(\C)/C

Other Databases

HMDB ID
HMDB0034184
METABOLOMICS ID
FLICALNI0002
PubChem CID
5319704

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 439.61
Topological Polar Surface Area 70.22
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 6.14
Molar Refractivity 128.02

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