LIPID MAPS

Structure Database (LMSD)

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Common Name

Nonivamide

Systematic Name

N-vanillyl-nonamide

Synonyms

pelargonic acid vanillylamide
PAVA

LM ID

LMFA08020317

Formula

C₁₇H₂₇NO₃

Exact Mass

Calculate m/z

293.199094

Sum Composition

NA 17:4;O2

Status

Active

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Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Capsicum (#4071)

Magnoliopsida (#3398)

Nonivamide, a Constituent of Capsicum oleoresin,
J. Nat. Prod., 1996

DOI: 10.1021/np9600816

String Representations

InChiKey (Click to copy)

RGOVYLWUIBMPGK-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)

SMILES (Click to copy)

C1=CC(CNC(=O)CCCCCCCC)=CC(OC)=C1O

Other Databases

CHEBI ID

46936

PubChem CID

66978550

Calculated Physicochemical Properties

Heavy Atoms 21

Rings 1

Aromatic Rings 1

Rotatable Bonds 10

Van der Waals Molecular Volume 306.21

Topological Polar Surface Area 58.56

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 3.77

Molar Refractivity 84.50

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Created at

15th Apr 2021

Updated at