Structure Database (LMSD)

O O HO O O O O
Common Name
Dehydroamorphigenin
Systematic Name
Synonyms
  • 6a,12a-Didehydroamorphigenin
LM ID
LMPK12060063
Formula
C23H20O7
Exact Mass
Calculate m/z
408.120905
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Rotenoid flavonoids [PK1206]

String Representations

InChiKey (Click to copy)
ZHDJHNSKUYZDCF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H20O7/c1-11(9-24)16-7-14-15(29-16)5-4-12-22(25)21-13-6-18(26-2)19(27-3)8-17(13)28-10-20(21)30-23(12)14/h4-6,8,16,24H,1,7,9-10H2,2-3H3
SMILES (Click to copy)
C12OC(C(CO)=C)CC=1C1OC3COC4=C(C=C(OC)C(OC)=C4)C=3C(=O)C=1C=C2

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FLIFWXNF0004
PubChem CID
4435675

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 5
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 349.73
Topological Polar Surface Area 91.50
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 4.69
Molar Refractivity 110.81

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Updated at
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