Structure Database (LMSD)

Common Name
Dihydroamorphigenin
Systematic Name
22,23-Dihydro-24-hydroxyrotenone
Synonyms
LM ID
LMPK12060013
Formula
C23H24O7
Exact Mass
Calculate m/z
412.152205
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
UXVPFQNHKHDTRK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H24O7/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/h4-6,8,11,16,20-21,24H,7,9-10H2,1-3H3
SMILES (Click to copy)
C12OC(C(CO)C)CC=1C1OC3COC4=C(C=C(OC)C(OC)=C4)C3C(=O)C=1C=C2

Other Databases

CHEBI ID
186058
METABOLOMICS ID
FLIF1LNF0007
PubChem CID
44257400

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 5
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 365.91
Topological Polar Surface Area 89.66
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 3.90
Molar Refractivity 109.34

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Updated at
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