LIPID MAPS

Structure Database (LMSD)

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Common Name

Alcyopterosin G

Systematic Name

Synonyms

LM ID

LMPR0103610005

Formula

C₁₅H₂₁NO₄

Exact Mass

Calculate m/z

279.147059

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)

QSUQUBXHKRJDDZ-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C15H21NO4/c1-10-6-11-7-15(2,3)8-13(11)14(9-17)12(10)4-5-20-16(18)19/h6,17H,4-5,7-9H2,1-3H3

SMILES (Click to copy)

C1(C)=CC2CC(C)(C)CC=2C(CO)=C1CCO[N+]([O-])=O

Other Databases

PubChem CID

10492931

Calculated Physicochemical Properties

Heavy Atoms 20

Rings 2

Aromatic Rings 1

Rotatable Bonds 5

Van der Waals Molecular Volume 268.04

Topological Polar Surface Area 72.60

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 5

logP 2.65

Molar Refractivity 75.43

Admin

Created at

23rd Jul 2021

Updated at