LIPID MAPS

Structure Database (LMSD)

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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

Classification

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)

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

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