Structure Database (LMSD)
Common Name
Curvulalide
Systematic Name
4R,7S,8R-trihydroxy-2Z,5E-decadien-9R-olide
Synonyms
LM ID
LMFA07040141
Formula
Exact Mass
Calculate m/z
214.084125
Sum Composition
Status
Active
3D model of Curvulalide
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Curvularia sp.
(#1715225)
Dothideomycetes
(#147541)
Modiolide and pyrone derivatives from the sea fan-derived fungus Curvularia sp. PSU-F22.,
Arch Pharm Res, 2011
Arch Pharm Res, 2011
Pubmed ID:
21656354
String Representations
InChiKey (Click to copy)
XVHODQZCEHEBGN-UPVLLSTMSA-N
InChi (Click to copy)
InChI=1S/C10H14O5/c1-6-10(14)8(12)4-2-7(11)3-5-9(13)15-6/h2-8,10-12,14H,1H3/b4-2+,5-3-/t6-,7-,8+,10+/m1/s1
SMILES (Click to copy)
C1(=O)C=C[C@H](O)C=C[C@H](O)[C@@H](O)[C@@H](C)O1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
1
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
205.23
Topological Polar Surface Area
89.06
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
0.27
Molar Refractivity
53.90
Admin
Created at
20th Nov 2020
Updated at
20th Nov 2020