Structure Database (LMSD)
Common Name
Alcyopterosin K
Systematic Name
Synonyms
LM ID
LMPR0103610011
Formula
C15H21O2Cl
Exact Mass
Calculate m/z
268.123008
Status
Active
3D model of Alcyopterosin K
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)
PTBKVVLMZYDRHF-CQSZACIVSA-N
InChi (Click to copy)
InChI=1S/C15H21ClO2/c1-9-6-11-12(7-15(2,3)14(11)18)13(8-17)10(9)4-5-16/h6,14,17-18H,4-5,7-8H2,1-3H3/t14-/m1/s1
SMILES (Click to copy)
C1(C)=CC2[C@@H](O)C(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
18
Rings
2
Aromatic Rings
1
Rotatable Bonds
3
Van der Waals Molecular Volume
257.31
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
3.17
Molar Refractivity
74.46
Admin
Created at
23rd Jul 2021
Updated at
23rd Jul 2021