Structure Database (LMSD)

Systematic Name
16S-hydroxy-9Z,17-octadecadiene-12,14-diynoic acid
Synonyms
  • HOD
LM ID
LMFA01050600
Formula
Exact Mass
Calculate m/z
288.172545
Sum Composition
Status
Active

Main

Classification

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
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