Structure Database (LMSD)

Common Name
Maximaisoflavone H
Systematic Name
4'-Methoxy-7,8-methylenedioxyisoflavone
Synonyms
LM ID
LMPK12050136
Formula
C17H12O5
Exact Mass
Calculate m/z
296.068475
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)
ODNPGUYDUGIBPN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H12O5/c1-19-11-4-2-10(3-5-11)13-8-20-16-12(15(13)18)6-7-14-17(16)22-9-21-14/h2-8H,9H2,1H3
SMILES (Click to copy)
C12OCOC=1C1OC=C(C3=CC=C(OC)C=C3)C(=O)C=1C=C2

Other Databases

METABOLOMICS ID
FLIA3ANS0003
PubChem CID
13873188

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 243.35
Topological Polar Surface Area 62.04
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 4.10
Molar Refractivity 80.70

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Updated at
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