Structure Database (LMSD)
Common Name
Alcyopterosin N
Systematic Name
Synonyms
3D model of Alcyopterosin N
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
Alcyonium antarcticum
(#2747890)
Anthozoa
(#6101)
Natural sesquiterpenoids.,
Nat Prod Rep, 2001
Nat Prod Rep, 2001
Pubmed ID:
11820763
String Representations
InChiKey (Click to copy)
NUFTYHHRGFEVPH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H20O2/c1-9-7-12-13(8-15(3,4)14(12)17)10(2)11(9)5-6-16/h7,16H,5-6,8H2,1-4H3
SMILES (Click to copy)
C1(C)=CC2C(=O)C(C)(C)CC=2C(C)=C1CCO
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
2
Aromatic Rings
1
Rotatable Bonds
2
Van der Waals Molecular Volume
239.46
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.89
Molar Refractivity
69.01
Admin
Created at
23rd Jul 2021
Updated at
23rd Jul 2021