Np mrd loader

Showing NP-Card for 4-Hydroxy-3-methoxycinnamaldehyde (NP0002734)

Jump To Section:
IdentificationSpectraBioTaxonomyChemoTaxonomyPhysical propertiesLinksReferencesXML
Record Information
Version1.0
Created at2020-11-23 19:39:06 UTC
Updated at2024-05-13 01:12:34 UTC
NP-MRD IDNP0002734
Secondary Accession NumbersNone
Natural Product Identification
Common Name4-Hydroxy-3-methoxycinnamaldehyde
Provided ByBMRBBMRB logo
DescriptionConiferaldehyde belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Coniferaldehyde is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. It was first documented in 2008 (PMID: 17984079). Based on a literature review a significant number of articles have been published on Coniferaldehyde (PMID: 23438684) (PMID: 30612223) (PMID: 22034160) (PMID: 22466741).
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0002734 (4-Hydroxy-3-methoxycinnamaldehyde)

Not Available

3D MOL for NP0002734 (4-Hydroxy-3-methoxycinnamaldehyde)

Not Available

3D SDF for NP0002734 (4-Hydroxy-3-methoxycinnamaldehyde)

Not Available

3D-SDF for NP0002734 (4-Hydroxy-3-methoxycinnamaldehyde)

Not Available

PDB for NP0002734 (4-Hydroxy-3-methoxycinnamaldehyde)

Not Available

3D PDB for NP0002734 (4-Hydroxy-3-methoxycinnamaldehyde)

Not Available

SMILES for NP0002734 (4-Hydroxy-3-methoxycinnamaldehyde)

Not Available

INCHI for NP0002734 (4-Hydroxy-3-methoxycinnamaldehyde)

Not Available
View in JSmol
Synonyms
ValueSource
(e)-ConiferaldehydeChEBI
4-Hydroxy-3-methoxycinnamaldehydeChEBI
FerulaldehydeChEBI
ConiferaldehydeChEBI
trans-Coniferyl aldehydeChEBI, MeSH, HMDB
Coniferyl aldehydeMeSH, HMDB
4-HM-CAMeSH, HMDB
Coniferaldehyde, (e)-isomerMeSH, HMDB
ConiferylaldehydeMeSH, HMDB
(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenalHMDB
(2E)-4-Hydroxy-3-methoxycinnamaldehydeHMDB
(E)-3-(4-Hydroxy-3-methoxyphenyl)acrylaldehydeHMDB
(E)-3-(4-Hydroxy-m-methoxyphenyl)prop-2-enalHMDB
(E)-Coniferyl aldehydeHMDB
(E)-FerulaldehydeHMDB
2-Methoxy-4-(3-oxo-1-propenyl)phenolHMDB
3-(4-Hydroxy-3-methoxyphenyl)-2-propenalHMDB
3-(4-Hydroxy-3-methoxyphenyl)acroleinHMDB
3-(4-Hydroxy-3-methoxyphenyl)propenalHMDB
3-Methoxy-4-hydroxycinnamaldehydeHMDB
4-Hydroxy-3-methoxy-trans-cinnamaldehydeHMDB
4-Hydroxy-3-methoxyzimtaldehydeHMDB
E-Coniferyl aldehydeHMDB
Ferulic aldehydeHMDB
Ferulyl aldehydeHMDB
p-ConiferaldehydeHMDB
trans-ConiferaldehydeHMDB
trans-FerulaldehydeHMDB
Chemical FormulaC10H10O3
Average Mass178.1846 Da
Monoisotopic Mass178.06299 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+
InChI KeyDKZBBWMURDFHNE-NSCUHMNNSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)jtkp6n@mail.missouri.eduNot AvailableNot Available2024-05-11View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)jtkp6n@mail.missouri.eduNot AvailableNot Available2024-05-11View Spectrum
1D NMR[1H, ] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)ztmnb@umsystem.eduNot AvailableNot Available2023-06-26View Spectrum
1D NMR[1H, ] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)ztmnb@umsystem.eduNot AvailableNot Available2023-06-26View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
Description Belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub ClassMethoxyphenols
Direct ParentMethoxyphenols
Alternative ParentsNot Available
SubstituentsNot Available
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted PropertiesNot Available
HMDB IDHMDB0141782
DrugBank IDNot Available
Phenol Explorer Compound ID630
FoodDB IDFDB001513
KNApSAcK IDC00002728
Chemspider ID4444167
KEGG Compound IDC02666
BioCyc IDCONIFERYL-ALDEHYDE
BiGG IDNot Available
Wikipedia LinkConiferyl_aldehyde
METLIN IDNot Available
PubChem Compound5280536
PDB IDCIY
ChEBI ID16547
Good Scents IDrw1107721
References
General References
  1. Melzer N, Wittenburg D, Hartwig S, Jakubowski S, Kesting U, Willmitzer L, Lisec J, Reinsch N, Repsilber D: Investigating associations between milk metabolite profiles and milk traits of Holstein cows. J Dairy Sci. 2013 Mar;96(3):1521-34. doi: 10.3168/jds.2012-5743. [PubMed:23438684 ]
  2. Ulrich EL, Akutsu H, Doreleijers JF, Harano Y, Ioannidis YE, Lin J, Livny M, Mading S, Maziuk D, Miller Z, Nakatani E, Schulte CF, Tolmie DE, Kent Wenger R, Yao H, Markley JL: BioMagResBank. Nucleic Acids Res. 2008 Jan;36(Database issue):D402-8. doi: 10.1093/nar/gkm957. Epub 2007 Nov 4. [PubMed:17984079 ]
  3. Djoumbou-Feunang Y, Fiamoncini J, Gil-de-la-Fuente A, Greiner R, Manach C, Wishart DS: BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification. J Cheminform. 2019 Jan 5;11(1):2. doi: 10.1186/s13321-018-0324-5. [PubMed:30612223 ]
  4. Shreaz S, Bhatia R, Khan N, Muralidhar S, Manzoor N, Khan LA: Influences of cinnamic aldehydes on H(+) extrusion activity and ultrastructure of Candida. J Med Microbiol. 2013 Feb;62(Pt 2):232-240. doi: 10.1099/jmm.0.036145-0. Epub 2011 Oct 27. [PubMed:22034160 ]
  5. Devkota HP, Watanabe M, Watanabe T, Yahara S: Phenolic compounds from the aerial parts of Diplomorpha canescens. Chem Pharm Bull (Tokyo). 2012;60(4):554-6. doi: 10.1248/cpb.60.554. [PubMed:22466741 ]