Structure Database (LMSD)
Common Name
Janohigenin 25-0
Systematic Name
2,4-dihydroxy-3-methyl-6-pentacosylbenzoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Janohigenin 25-0
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
UFMYZZQKSNGVHU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-27-30(34)28(2)32(35)31(29)33(36)37/h27,34-35H,3-26H2,1-2H3,(H,36,37)
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCCCCCCCCCCCCCC)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
Phytochemistry, 2021
Pubmed ID:
34388665
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
37
Rings
1
Aromatic Rings
1
Rotatable Bonds
25
Van der Waals Molecular Volume
580.80
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
10.64
Molar Refractivity
157.04
Admin
Created at
3rd Dec 2021
Updated at
3rd Dec 2021