LIPID MAPS

Structure Database (LMSD)

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Common Name

Demeapollinin

Systematic Name

Synonyms

LM ID

LMPK12113399

Formula

C₂₁H₁₆O₅

Exact Mass

Calculate m/z

348.099775

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

WERKITJNOGWYDM-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C21H16O5/c1-21(2)11-14(20(24)26-21)18-15(22)9-8-13-16(23)10-17(25-19(13)18)12-6-4-3-5-7-12/h3-11,22H,1-2H3

SMILES (Click to copy)

C1(C2C(=O)OC(C)(C)C=2)=C(O)C=CC2C(=O)C=C(C3=CC=CC=C3)OC1=2

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Tephrosia purpurea (#228354)

Magnoliopsida (#3398)

New prenylated flavonoid and neuroprotective compounds from Tephrosia purpurea subsp. dunensis.,
Nat Prod Res, 2020

Pubmed ID: 32878453

Other Databases

PubChem CID

171120024

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 4

Aromatic Rings 3

Rotatable Bonds 2

Van der Waals Molecular Volume 307.27

Topological Polar Surface Area 78.81

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 5

logP 5.07

Molar Refractivity 98.35

Admin

Created at

9th Sep 2020

Updated at