Structure Database (LMSD)
Common Name
Triplinone F
Systematic Name
6R-[(3E,6S,8S,11E)-2,6,8-Trihydroxy-12-phenyl-3,11-dodecadienyl]-5,6-dihydro-2H-pyran-2-one
Synonyms
- 17-phenyl-7,11S,13S-trihydroxy-2Z,8E,16E-heptadecatriene-4R-olide
LM ID
LMFA07040212
Formula
Exact Mass
Calculate m/z
386.209326
Sum Composition
Status
Curated
3D model of Triplinone F
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)
HAWZSMCQZFREJU-MIPAYREBSA-N
InChi (Click to copy)
InChI=1S/C23H30O5/c24-19(11-5-4-10-18-8-2-1-3-9-18)16-20(25)12-6-13-21(26)17-22-14-7-15-23(27)28-22/h1-4,6-10,13,15,19-22,24-26H,5,11-12,14,16-17H2/b10-4+,13-6+/t19-,20-,21?,22+/m0/s1
SMILES (Click to copy)
OC(C[C@]1(CC=CC(=O)O1)[H])/C=C/C[C@@H](C[C@H](CC/C=C/C1C=CC=CC=1)O)O
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
2
Aromatic Rings
1
Rotatable Bonds
11
Van der Waals Molecular Volume
396.31
Topological Polar Surface Area
89.06
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
4.31
Molar Refractivity
111.41
Admin
Created at
29th May 2025
Updated at
29th May 2025