Herculin
PubChem CID
5318023
Structure
Molecular Formula
Synonyms
- Herculin
- (2E,8E)-N-(2-methylpropyl)dodeca-2,8-dienamide
- N-isobutyl-2,8-dodecadienamide
- CHEBI:165526
- LMFA08020180
Molecular Weight
251.41 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2006-01-18
- Modify:2025-01-18
Description
Herculin is a fatty amide.
Chemical Structure Depiction
(2E,8E)-N-(2-methylpropyl)dodeca-2,8-dienamide
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3,(H,17,18)/b7-6+,13-12+
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
JNPRQUIWDVDHIT-GYIPPJPDSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CCC/C=C/CCCC/C=C/C(=O)NCC(C)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C16H29NO
Computed by PubChem 2.1 (PubChem release 2019.06.18)
- herculin
- herculin protein, human
- herculin protein, mouse
- herculin protein, rat
- human myogenic factor, Myf-6
- MRF4
- muscle regulatory factor 4
- Myf-6
- MYF6 protein, human
- Myf6 protein, mouse
- Myf6 protein, rat
- myogenic factor 6
- myogenic factor 6 (herculin) protein, human
- myogenic factor 6 protein, mouse
- myogenic factor 6 protein, rat
- myogenic factor, Myf-6
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
251.41 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
5
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
10
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
251.224914549 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
251.224914549 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
29.1 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
18
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
254
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
2
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
Solid
59 - 60 °C
Fatty Acyls [FA] -> Fatty amides [FA08] -> N-acyl amines [FA0802]
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- Extracellular
- Membrane
- ChEBI
- Human Metabolome Database (HMDB)LICENSEHMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.http://www.hmdb.ca/citing
- LIPID MAPSLipid Classificationhttps://www.lipidmaps.org/
- Metabolomics Workbench
- Natural Product Activity and Species Source (NPASS)
- Wikidata(2E,8E)-N-(2-methylpropyl)dodeca-2,8-dienamidehttps://www.wikidata.org/wiki/Q76303510
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlmyogenic factor 6https://www.ncbi.nlm.nih.gov/mesh/67063403
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
CONTENTS