Structure Database (LMSD)
Common Name
Triplinone G
Systematic Name
6R-[(2R,4S,7E)-2,4-Dihydroxy-8-phenyl-7-octenyl]-5,6-dihydro-2H-pyran-2-one
Synonyms
- 17-phenyl-7S,9R-trihydroxy-2Z,12E-tridecadiene-4R-olide
LM ID
LMFA07040214
Formula
Exact Mass
Calculate m/z
358.178025
Sum Composition
Status
Curated
3D model of Triplinone G
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)
OSUMOBKNYMFBBS-JWYHSKDHSA-N
InChi (Click to copy)
InChI=1S/C21H26O5/c1-16(22)25-20(15-19-12-7-13-21(24)26-19)14-18(23)11-6-5-10-17-8-3-2-4-9-17/h2-5,7-10,13,18-20,23H,6,11-12,14-15H2,1H3/b10-5+/t18-,19+,20+/m0/s1
SMILES (Click to copy)
O(C(C)=O)[C@H](C[C@H](CC/C=C/C1C=CC=CC=1)O)C[C@]1(CC=CC(=O)O1)[H]
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
2
Aromatic Rings
1
Rotatable Bonds
10
Van der Waals Molecular Volume
361.71
Topological Polar Surface Area
74.90
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
4.28
Molar Refractivity
100.68
Admin
Created at
29th May 2025
Updated at
29th May 2025