Structure Database (LMSD)

Common Name
Ovalichromene B
Systematic Name
3',4'-Methylenedioxy-6",6"-dimethyl-pyrano [ 2",3":7,8 ] flavanone
Synonyms
LM ID
LMPK12140072
Formula
C21H18O5
Exact Mass
Calculate m/z
350.115425
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
JRTNAZKQGYGUQE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H18O5/c1-21(2)8-7-14-16(26-21)6-4-13-15(22)10-18(25-20(13)14)12-3-5-17-19(9-12)24-11-23-17/h3-9,18H,10-11H2,1-2H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC(C3C=C4OCOC4=CC=3)CC(=O)C=1C=C2

Other Databases

METABOLOMICS ID
FL2F1CNP0001
PubChem CID
10981007

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 5
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 311.09
Topological Polar Surface Area 62.27
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 4.59
Molar Refractivity 95.58

Admin

Created at
-
Updated at
-