Structure Database (LMSD)

Common Name
Dalpanol
Systematic Name
6',7'-Dihydro-6'-hydroxyrotenone
Synonyms
LM ID
LMPK12060014
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)
UJRXJHPYROZVGI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H24O7/c1-23(2,25)19-8-13-14(29-19)6-5-11-21(24)20-12-7-16(26-3)17(27-4)9-15(12)28-10-18(20)30-22(11)13/h5-7,9,18-20,25H,8,10H2,1-4H3
SMILES (Click to copy)
C12OC(C(O)(C)C)CC=1C1OC3COC4=C(C=C(OC)C(OC)=C4)C3C(=O)C=1C=C2

Other Databases

METABOLOMICS ID
FLIF1LNF0008
PubChem CID
12309001

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 5
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 365.91
Topological Polar Surface Area 89.66
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 4.04
Molar Refractivity 109.41

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Updated at
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