Structure Database (LMSD)

Common Name
Alcyopterosin O
Systematic Name
Synonyms
LM ID
LMPR0103610002
Formula
C15H22O2
Exact Mass
Calculate m/z
234.16198
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Illudalane sesquiterpenoids [PR010361]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Alcyonium antarcticum (#2747890)
Anthozoa (#6101)
Natural sesquiterpenoids.,
Nat Prod Rep, 2001
Pubmed ID: 11820763

String Representations

InChiKey (Click to copy)
BQJOEAFEARPHDH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H22O2/c1-10-6-11-7-15(2,3)8-13(11)14(9-17)12(10)4-5-16/h6,16-17H,4-5,7-9H2,1-3H3
SMILES (Click to copy)
C1(C)=CC2CC(C)(C)CC=2C(CO)=C1CCO

Other Databases

CHEBI ID
196152
PubChem CID
10847307

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 2
Aromatic Rings 1
Rotatable Bonds 3
Van der Waals Molecular Volume 242.10
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 2.43
Molar Refractivity 69.57

Admin

Created at
-
Updated at
23rd Jul 2021