Structure Database (LMSD)
Systematic Name
16S-hydroxy-9Z,17-octadecadiene-12,14-diynoic acid
Synonyms
- HOD
3D model of
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)
HQHIHSWDBHBMOJ-IVZVJUQRSA-N
InChi (Click to copy)
InChI=1S/C18H24O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h2-3,5,17,19H,1,4,6-8,10,12,14,16H2,(H,20,21)/b5-3-/t17-/m0/s1
SMILES (Click to copy)
C(CCCCCCC/C=C\CC#CC#C[C@@H](O)C=C)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Dendropanax morbifer
(#98373)
Magnoliopsida
(#3398)
Polyacetylene From Dendropanax morbifera Alleviates Diet-Induced Obesity and Hepatic Steatosis by Activating AMPK Signaling Pathway.,
Front Pharmacol, 2018
Front Pharmacol, 2018
Pubmed ID:
29875667
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
Aromatic Rings
Rotatable Bonds
10
Van der Waals Molecular Volume
327.85
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
3.59
Molar Refractivity
85.98
Admin
Created at
28th Jun 2022
Updated at
28th Jun 2022