Structure Database (LMSD)

Common Name
1'',2''-Dihydro-8-hydroxyisopentanyl-2'-methoxy-4'-O-methylalpinumisoflavone
Systematic Name
Synonyms
LM ID
LMPK12050318
Formula
C27H32O7
Exact Mass
Calculate m/z
468.214805
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
CHAULRSTDYIXBR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H32O7/c1-26(2,30)11-9-18-24-17(10-12-27(3,4)34-24)22(28)21-23(29)19(14-33-25(18)21)16-8-7-15(31-5)13-20(16)32-6/h7-8,13-14,28,30H,9-12H2,1-6H3
SMILES (Click to copy)
C12OC(C)(C)CCC1=C(O)C1C(=O)C(C3C=CC(OC)=CC=3OC)=COC=1C=2CCC(O)(C)C

Other Databases

CHEBI ID
169195
METABOLOMICS ID
FLIAALNP0011
PubChem CID
44257322

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 433.93
Topological Polar Surface Area 100.43
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 6.46
Molar Refractivity 131.47

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Updated at
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