Structure Database (LMSD)
Common Name
Maracin A
Systematic Name
5-[tetradeca-5E,8E,11Z,13-tetraen-1-ynoxy]-pent-4E-enoic acid
Synonyms
3D model of Maracin A
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
String Representations
InChiKey (Click to copy)
HNCZZAFOQUEHGF-APDSTEBESA-N
InChi (Click to copy)
InChI=1S/C19H24O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-22-18-15-13-16-19(20)21/h2-4,6-7,9-10,15,18H,1,5,8,11-13,16H2,(H,20,21)/b4-3-,7-6+,10-9+,18-15+
SMILES (Click to copy)
C(CC/C=C/OC#CCC/C=C/C/C=C/C/C=C\C=C)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
Aromatic Rings
Rotatable Bonds
11
Van der Waals Molecular Volume
342.51
Topological Polar Surface Area
46.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
4.76
Molar Refractivity
90.96
Admin
Created at
21st Jul 2021
Updated at
21st Jul 2021