Structure Database (LMSD)
Common Name
Alcyopterosin D
Systematic Name
Synonyms
LM ID
LMPR0103610006
Formula
C15H21OCl
Exact Mass
Calculate m/z
252.128093
Status
Active
3D model of Alcyopterosin D
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)
YRVKHQPHSAAEOU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H21ClO/c1-10-6-11-7-15(2,3)8-13(11)14(9-17)12(10)4-5-16/h6,17H,4-5,7-9H2,1-3H3
SMILES (Click to copy)
C1(C)=CC2CC(C)(C)CC=2C(CO)=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
17
Rings
2
Aromatic Rings
1
Rotatable Bonds
3
Van der Waals Molecular Volume
248.52
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
3.68
Molar Refractivity
73.20
Admin
Created at
23rd Jul 2021
Updated at
26th Jul 2021