Structure Database (LMSD)

OH OH HO O O
Common Name
Euchrenone b1
Systematic Name
5,7,4'-Trihydroxy-6,8,3'-triprenylisoflavone
Synonyms
LM ID
LMPK12050199
Formula
C30H34O5
Exact Mass
Calculate m/z
474.240625
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
GBANFZMBHZDAOG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H34O5/c1-17(2)7-10-21-15-20(11-14-25(21)31)24-16-35-30-23(13-9-19(5)6)27(32)22(12-8-18(3)4)28(33)26(30)29(24)34/h7-9,11,14-16,31-33H,10,12-13H2,1-6H3
SMILES (Click to copy)
C1(O)C(C/C=C(\C)/C)=C(O)C2C(=O)C(C3=CC(C/C=C(/C)\C)=C(O)C=C3)=COC=2C=1C/C=C(\C)/C

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FLIAAANI0012
PubChem CID
25224570

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 3
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 472.69
Topological Polar Surface Area 90.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 8.00
Molar Refractivity 142.43

Admin

Created at
-
Updated at
-