Structure Database (LMSD)
Systematic Name
5-(2-Methylphenyl)-4-pentenoic acid
Synonyms
3D model of
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Streptomyces sp.
(#1931)
Actinomycetes
(#1760)
Glucopiericidin C: a cytotoxic piericidin glucoside antibiotic produced by a marine Streptomyces isolate.,
J Antibiot (Tokyo), 2011
J Antibiot (Tokyo), 2011
Pubmed ID:
21081953
Streptomyces sp. CB04723
(#2748873)
Actinomycetes
(#1760)
Discovery and Biosynthetic Studies of a Highly Reduced Cinnamoyl Lipid, Tripmycin A, from an Endophytic Streptomyces sp.,
J Nat Prod, 2023
J Nat Prod, 2023
Pubmed ID:
37462318
String Representations
InChiKey (Click to copy)
DRZNYKPVRLVHJG-XBXARRHUSA-N
InChi (Click to copy)
InChI=1S/C12H14O2/c1-10-6-2-3-7-11(10)8-4-5-9-12(13)14/h2-4,6-8H,5,9H2,1H3,(H,13,14)/b8-4+
SMILES (Click to copy)
OC(=O)CC/C=C/C1=CC=CC=C1C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
1
Aromatic Rings
1
Rotatable Bonds
4
Van der Waals Molecular Volume
197.28
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.87
Molar Refractivity
57.08
Admin
Created at
7th Aug 2023
Updated at
7th Aug 2023