LIPID MAPS

Structure Database (LMSD)

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Common Name

Dihydrokaempferol

Systematic Name

Synonyms

LM ID

LMPK12140720

Formula

C₁₅H₁₂O₆

Exact Mass

Calculate m/z

288.06339

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Silybum marianum (#92921)

Magnoliopsida (#3398)

Tyrosinase inhibitory study of flavonolignans from the seeds of Silybum marianum (Milk thistle).,
Bioorg Med Chem, 2019

Pubmed ID: 30871862

String Representations

InChiKey (Click to copy)

PADQINQHPQKXNL-LSDHHAIUSA-N

InChi (Click to copy)

InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1

SMILES (Click to copy)

C1(O)C=C(O)C2C(=O)[C@@H]([C@@H](C3=CC=C(O)C=C3)OC=2C=1)O

Other Databases

KEGG ID

C00974

CHEBI ID

15401

PubChem CID

122850

Calculated Physicochemical Properties

Heavy Atoms 21

Rings 3

Aromatic Rings 2

Rotatable Bonds 1

Van der Waals Molecular Volume 243.44

Topological Polar Surface Area 109.29

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 6

logP 1.77

Molar Refractivity 72.10

Admin

Created at

8th Jun 2021

Updated at