LIPID MAPS

Structure Database (LMSD)

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Common Name

Janohigenin 23-1

Systematic Name

2,4-dihydroxy-3-methyl-6-(tricos-16Z-en-1-yl)benzoic acid

Synonyms

LM ID

LMPK15040010

Formula

C₃₁H₅₂O₄

Exact Mass

Calculate m/z

488.38656

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

DGBBALHSIUNNCJ-HJWRWDBZSA-N

InChi (Click to copy)

InChI=1S/C31H52O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-25-28(32)26(2)30(33)29(27)31(34)35/h8-9,25,32-33H,3-7,10-24H2,1-2H3,(H,34,35)/b9-8-

SMILES (Click to copy)

C1(O)C=C(CCCCCCCCCCCCCCC/C=C\CCCCCC)C(C(O)=O)=C(O)C=1C

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Ophiopogon japonicus (#100506)

Magnoliopsida (#3398)

Janohigenins: Long-chain anacardic acid derivatives with neuroprotective activity from Ophiopogon japonicus seeds.,
Phytochemistry, 2021

Pubmed ID: 34388665

Other Databases

PubChem CID

171120389

Calculated Physicochemical Properties

Heavy Atoms 35

Rings 1

Aromatic Rings 1

Rotatable Bonds 22

Van der Waals Molecular Volume 543.56

Topological Polar Surface Area 77.76

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 9.63

Molar Refractivity 147.71

Admin

Created at

3rd Dec 2021

Updated at