LIPID MAPS

Structure Database (LMSD)

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Systematic Name

2',3,4',5,7-pentahydroxy-6-methylflavone

Synonyms

LM ID

LMPK12113396

Formula

C₁₆H₁₂O₇

Exact Mass

Calculate m/z

316.058305

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

JLWLWZBJRPXTOC-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C16H12O7/c1-6-9(18)5-11-12(13(6)20)14(21)15(22)16(23-11)8-3-2-7(17)4-10(8)19/h2-5,17-20,22H,1H3

SMILES (Click to copy)

C1(O)C=C2OC(C3C(O)=CC(O)=CC=3)=C(O)C(=O)C2=C(O)C=1C

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Mirabilis himalaica (#482968)

Magnoliopsida (#3398)

Himalaflavone A-E, five new flavonoids from Oxybaphus himalaicus.,
Nat Prod Res, 2020

Pubmed ID: 32476473

Other Databases

PubChem CID

171118834

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 3

Aromatic Rings 3

Rotatable Bonds 1

Van der Waals Molecular Volume 255.99

Topological Polar Surface Area 131.36

Hydrogen Bond Donors 5

Hydrogen Bond Acceptors 7

logP 3.20

Molar Refractivity 81.09

Admin

Created at

2nd Jun 2020

Updated at