Structure Database (LMSD)
Common Name
Triplinone C
Systematic Name
6R-[(2R,4S,7E)-2,4-Dihydroxy-8-phenyl-7-octenyl]-5,6-dihydro-2H-pyran-2-one
Synonyms
- 13-phenyl,7R,9R-dihydroxy-2Z,12E-tridecadiene-4R-olide
LM ID
LMFA07040209
Formula
Exact Mass
Calculate m/z
316.16746
Sum Composition
Status
Curated
3D model of Triplinone C
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
Cryptocarya triplinervis
(#136115)
Magnoliopsida
(#3398)
Triplinones A-H: Anti-Inflammatory Arylalkenyl α,β-Unsaturated-δ-Lactones Isolated from the Leaves of Australian Rainforest Plant Cryptocarya triplinervis (Lauraceae).,
J Nat Prod, 2024
J Nat Prod, 2024
Pubmed ID:
38964296
String Representations
InChiKey (Click to copy)
WTQNXTLTZHFGOL-IJJSMBQGSA-N
InChi (Click to copy)
InChI=1S/C19H24O4/c20-16(10-5-4-9-15-7-2-1-3-8-15)13-17(21)14-18-11-6-12-19(22)23-18/h1-4,6-9,12,16-18,20-21H,5,10-11,13-14H2/b9-4+/t16-,17+,18+/m0/s1
SMILES (Click to copy)
C1C[C@@]([H])(OC(=O)C=1)C[C@H](O)C[C@H](CC/C=C/C1=CC=CC=C1)O
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
2
Aromatic Rings
1
Rotatable Bonds
8
Van der Waals Molecular Volume
320.96
Topological Polar Surface Area
68.83
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
3.71
Molar Refractivity
91.13
Admin
Created at
27th May 2025
Updated at
29th May 2025