Structure Database (LMSD)
Common Name
(R)-(-)-phialomustin B
Systematic Name
4,6R-dimethyl-2E,4E-decadienoic acid
Synonyms
- (2E,4E,6R)-4,6-dimethyldeca-2,4-dienoic acid
3D model of (R)-(-)-phialomustin B
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
Couchioplanes sp. RD010705
(#2682939)
Actinomycetes
(#1760)
Unsaturated fatty acids and a prenylated tryptophan derivative from a rare actinomycete of the genus Couchioplanes.,
Beilstein J Org Chem, 2021
Beilstein J Org Chem, 2021
Pubmed ID:
34956414
String Representations
InChiKey (Click to copy)
DZXNZBWYVLLUAX-SDNMUHDLSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-4-5-6-10(2)9-11(3)7-8-12(13)14/h7-10H,4-6H2,1-3H3,(H,13,14)/b8-7+,11-9+/t10-/m1/s1
SMILES (Click to copy)
C(/C=C/C(/C)=C/[C@H](C)CCCC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
Aromatic Rings
Rotatable Bonds
6
Van der Waals Molecular Volume
225.82
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
3.40
Molar Refractivity
59.22
Admin
Created at
1st Jan 2022
Updated at
1st Jan 2022