Structure Database (LMSD)

Systematic Name
2',4',α-Trihydroxy-4-methoxydihydrochalcone
Synonyms
LM ID
LMPK12120576
Formula
C16H16O5
Exact Mass
Calculate m/z
288.099775
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)
HCKOSOAGJKXJSO-OAHLLOKOSA-N
InChi (Click to copy)
InChI=1S/C16H16O5/c1-21-12-5-2-10(3-6-12)8-15(19)16(20)13-7-4-11(17)9-14(13)18/h2-7,9,15,17-19H,8H2,1H3/t15-/m1/s1
SMILES (Click to copy)
C1(O)C=CC(C(=O)[C@H](O)CC2C=CC(OC)=CC=2)=C(O)C=1

Other Databases

CHEBI ID
185307
METABOLOMICS ID
FL1DHXNS0004
PubChem CID
13952172

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 2
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 264.31
Topological Polar Surface Area 86.99
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 2.18
Molar Refractivity 77.32

Admin

Created at
-
Updated at
-