Structure Database (LMSD)

Common Name
3'-Methoxylupinifolin
Systematic Name
Synonyms
LM ID
LMPK12140447
Formula
C26H28O6
Exact Mass
Calculate m/z
436.18859
Status
Curated
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)
NACCPUJWYYFCBC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H28O6/c1-14(2)6-8-17-24-16(10-11-26(3,4)32-24)23(29)22-19(28)13-20(31-25(17)22)15-7-9-18(27)21(12-15)30-5/h6-7,9-12,20,27,29H,8,13H2,1-5H3
SMILES (Click to copy)
C12C=CC(C)(C)OC1=C(C/C=C(\C)/C)C1OC(C3C=C(OC)C(O)=CC=3)CC(=O)C=1C=2O

Other Databases

CHEBI ID
185538
METABOLOMICS ID
FL2FADNP0002
PubChem CID
15677603

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 416.10
Topological Polar Surface Area 89.36
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 5.79
Molar Refractivity 122.47

Admin

Created at
-
Updated at
-