Structure Database (LMSD)

Common Name
Alcyopterosin J
Systematic Name
Synonyms
LM ID
LMPR0103610008
Status
Active
Exact Mass
Calculate m/z
293.126324
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

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