Structure Database (LMSD)

Common Name
Euchrenone b2
Systematic Name
5,7,2',4'-Tetrahydroxy-6,8,3'-triprenylisoflavone
Synonyms
LM ID
LMPK12050307
Formula
C30H34O6
Exact Mass
Calculate m/z
490.23554
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)
COPNKTGNDJCFIO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H34O6/c1-16(2)7-10-20-24(31)14-13-19(26(20)32)23-15-36-30-22(12-9-18(5)6)27(33)21(11-8-17(3)4)28(34)25(30)29(23)35/h7-9,13-15,31-34H,10-12H2,1-6H3
SMILES (Click to copy)
C1(O)C(C/C=C(\C)/C)=C(O)C2C(=O)C(C3=C(O)C(C/C=C(/C)\C)=C(O)C=C3)=COC=2C=1C/C=C(\C)/C

Other Databases

METABOLOMICS ID
FLIAALNI0022
PubChem CID
44257319

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 3
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 481.48
Topological Polar Surface Area 111.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 7.71
Molar Refractivity 144.09

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Updated at
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