Structure Database (LMSD)
Common Name
Alcyopterosin A
Systematic Name
Synonyms
LM ID
LMPR0103610003
Formula
C15H21Cl
Exact Mass
Calculate m/z
236.133178
Status
Active
3D model of Alcyopterosin A
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
AOZZRIFMYYWXLE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H21Cl/c1-10-7-12-8-15(3,4)9-14(12)11(2)13(10)5-6-16/h7H,5-6,8-9H2,1-4H3
SMILES (Click to copy)
C1(C)=CC2CC(C)(C)CC=2C(C)=C1CCCl
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
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
2
Aromatic Rings
1
Rotatable Bonds
2
Van der Waals Molecular Volume
239.73
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP
4.49
Molar Refractivity
72.02
Admin
Created at
23rd Jul 2021
Updated at
23rd Jul 2021