Structure Database (LMSD)

Systematic Name
2',6'-Dihydroxy-3'-(1-p-menthen-3-yl)-4'-methoxychalcone
Synonyms
LM ID
LMPK12120241
Formula
C26H30O4
Exact Mass
Calculate m/z
406.21441
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
HFZKMAAAZSRYAY-ACCUITESSA-N
InChi (Click to copy)
InChI=1S/C26H30O4/c1-16(2)19-12-10-17(3)14-20(19)24-23(30-4)15-22(28)25(26(24)29)21(27)13-11-18-8-6-5-7-9-18/h5-9,11,13-16,19-20,28-29H,10,12H2,1-4H3/b13-11+
SMILES (Click to copy)
C1=CC=CC=C1/C=C/C(=O)C1C(O)=C(C2C(C(C)C)CCC(C)=C2)C(OC)=CC=1O

Other Databases

CHEBI ID
187671
METABOLOMICS ID
FL1CA9NR0002
PubChem CID
5387811

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 410.88
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 6.10
Molar Refractivity 120.19

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Updated at
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