Structure Database (LMSD)
Common Name
Alutacenoic acid B
Systematic Name
8-(3-oxocyclopropen-1-yl)octanoic acid
Synonyms
3D model of Alutacenoic acid B
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)
GZQURNFPUYOHDR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H16O3/c12-10-8-9(10)6-4-2-1-3-5-7-11(13)14/h8H,1-7H2,(H,13,14)
SMILES (Click to copy)
C(CCCCCC1=CC1=O)CC(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Penicillium alutaceum
(#70088)
Eurotiomycetes
(#147545)
Alutacenoic Acids A and B, Rare Naturally Occurring Cyclopropenone Derivatives Isolated from Fungi: Potent Non-Peptide Factor XIIIa Inhibitors,
J Am Chem Soc
J Am Chem Soc
DOI:
10.1021/ja992355s
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
1
Aromatic Rings
Rotatable Bonds
8
Van der Waals Molecular Volume
204.95
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
2.31
Molar Refractivity
53.04
Admin
Created at
15th Jun 2023
Updated at
15th Jun 2023