Structure Database (LMSD)

OH O _ O O + N O
Common Name
Alcyopterosin J
Systematic Name
Synonyms
LM ID
LMPR0103610008
Formula
C15H19NO5
Exact Mass
Calculate m/z
293.126324
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
WHOGGDBUMYFNQX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H19NO5/c1-9-6-11-12(7-15(2,3)14(11)18)13(8-17)10(9)4-5-21-16(19)20/h6,17H,4-5,7-8H2,1-3H3
SMILES (Click to copy)
C1(C)=CC2C(=O)C(C)(C)CC=2C(CO)=C1CCO[N+]([O-])=O

References

Taxonomy Information

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

Other Databases

PubChem CID
10780043

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 2
Aromatic Rings 1
Rotatable Bonds 5
Van der Waals Molecular Volume 274.19
Topological Polar Surface Area 89.67
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 2.29
Molar Refractivity 76.06

Admin

Created at
23rd Jul 2021
Updated at
23rd Jul 2021