Structure Database (LMSD)

Common Name
Alcyopterosin C
Systematic Name
Synonyms
LM ID
LMPR0103610007
Status
Active
Exact Mass
Calculate m/z
277.131409
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)
PNYVCWGOHTZAPL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H19NO4/c1-9-7-12-13(8-15(3,4)14(12)17)10(2)11(9)5-6-20-16(18)19/h7H,5-6,8H2,1-4H3
SMILES (Click to copy)
C1(C)=CC2C(=O)C(C)(C)CC=2C(C)=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 20
Rings 2
Aromatic Rings 1
Rotatable Bonds 4
Van der Waals Molecular Volume 265.40
Topological Polar Surface Area 69.44
Hydrogen Bond Donors
Hydrogen Bond Acceptors 5
logP 3.10
Molar Refractivity 74.87

Admin

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