Structure Database (LMSD)

Common Name
Euchretin C
Systematic Name
Synonyms
  • 5,7,4',5'-Tetrahydroxy-6,8,3'-triprenylcoumaronochromone
LM ID
LMPK12160009
Formula
C30H32O7
Exact Mass
Calculate m/z
504.214805
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Other Flavonoids [PK1216]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
IZIAIFCTOOEOCV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H32O7/c1-14(2)7-10-17-24(32)18(11-8-15(3)4)29-23(26(17)34)27(35)22-20-13-21(31)25(33)19(12-9-16(5)6)28(20)36-30(22)37-29/h7-9,13,31-34H,10-12H2,1-6H3
SMILES (Click to copy)
C1(O)=C(C/C=C(/C)\C)C2OC3OC4C(=CC(O)=C(O)C=4C/C=C(/C)\C)C=3C(=O)C=2C(O)=C1C/C=C(\C)/C

Other Databases

CHEBI ID
179729
METABOLOMICS ID
FLIG1LNI0007
PubChem CID
44260102

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 4
Aromatic Rings 4
Rotatable Bonds 6
Van der Waals Molecular Volume 467.01
Topological Polar Surface Area 124.27
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 7.94
Molar Refractivity 145.93

Admin

Created at
-
Updated at
-