Structure Database (LMSD)
Common Name
Eunicea sesquiterpenoid 7
Systematic Name
(1S,2E,10R)-10-acetyl-3-methyl-7-methylidene-6-oxocyclodec-2-en-1-yl (2E)-4-hydroxy-4-methylpent-2-enoate
Synonyms
LM ID
LMFA07010888
Formula
Exact Mass
Calculate m/z
348.193676
Sum Composition
Status
Curated
3D model of Eunicea sesquiterpenoid 7
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
Level 4 Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
unclassified Eunicea
(#2636189)
Anthozoa
(#6101)
Sesquiterpenoid metabolites with antiplasmodial activity from a Caribbean gorgonian coral, Eunicea sp.,
J Nat Prod, 2005
J Nat Prod, 2005
Pubmed ID:
16180813
DOI:
10.1021/np0501684
String Representations
InChiKey (Click to copy)
WNLDPFSWPBREOU-SURQFZOFSA-N
InChi (Click to copy)
InChI=1S/C20H28O5/c1-13-6-9-17(22)14(2)7-8-16(15(3)21)18(12-13)25-19(23)10-11-20(4,5)24/h10-12,16,18,24H,2,6-9H2,1,3-5H3/b11-10+,13-12+/t16-,18-/m0/s1
SMILES (Click to copy)
C1C(C(=C)CC[C@H]([C@H](C=C(C)C1)OC(=O)/C=C/C(O)(C)C)C(C)=O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
1
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
370.31
Topological Polar Surface Area
80.67
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
3.65
Molar Refractivity
96.88
Admin
Created at
-
Updated at
5th Dec 2025