o-Vanillin - Moligand™,≥99% , CAS No.148-53-8

CAS: 148-53-8 Cat. No.: V109636 Formula: CH₃OC₆H₃-2-(OH)CHO Peso molecolare: 152.15 Beilstein Registry Number: 471913 Numero EC: 205-715-3 PubChem CID: 8991

GRADE & PURITY Moligand™, ≥99%

Synonyms

Ortho vanillin | P20004 | BBL009824 | BRN 0471913 | O-VANILLIN | AKOS000119724 | Orthovanilline | STK397284 | 2-Vanillin | F2190-0634 | SCHEMBL16004 | 2-hydroxy-3-(methyloxy)benzaldehyde | WLN: VHR BQ CO1 | 6-Formylguaiacol | A808779 | Q-201522 | Benzalde

Storage

Room temperature,Argon charged

Shipped In

Normal

Panoramica

o-Vanillin (2-Vanillin) is a nature product, could be extracted from Vanilla planifolia, Pinus koraiensis fruit. o-Vanillin is a potent antifungal agent. o-Vanillin inhibits the growth of mycelia by disrupting the integrity of cell walls and cell membranes. o-Vanillin inhibits Doxorubicin- and 4-hydroperoxycyclophosphamide-induced NF-κB activation

Specifications

Sinonimi

Ortho vanillin | P20004 | BBL009824 | BRN 0471913 | O-VANILLIN | AKOS000119724 | Orthovanilline | STK397284 | 2-Vanillin | F2190-0634 | SCHEMBL16004 | 2-hydroxy-3-(methyloxy)benzaldehyde | WLN: VHR BQ CO1 | 6-Formylguaiacol | A808779 | Q-201522 | Benzalde

Specifiche e purezza

Moligand™,≥99%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Grado

Moligand™

Tipo di azione

INHIBITOR

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 488180919
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180919
• Sorrisi canonici: COC1=CC=CC(=C1O)C=O
• IUPAC Name: 2-hydroxy-3-methoxybenzaldehyde
• InChIKey: JJVNINGBHGBWJH-UHFFFAOYSA-N
• INCHI: 1S/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3
• Isomeri SMILES: COC1=CC=CC(=C1O)C=O
• WGK Germania: 3
• RTECS: CU6530000
• PubChem CID: 8991
• Peso molecolare: 152.15
• Beilstein: 471913
• Reaxy-Rn: 471913

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Hydroxybenzaldehydes Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Hydroxybenzaldehyde - Phenoxy compound - Anisole - Benzaldehyde - Methoxybenzene - Benzoyl - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Aryl-aldehyde - Monocyclic benzene moiety - Vinylogous acid - Ether - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: phenols - monomethoxybenzene - benzaldehydes

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

ERN1 Tchem Serine/threonine-protein kinase/endoribonuclease IRE1 (1682 Activities)

Discover Target: ERN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility in methanol is almost transparent. Soluble in alcohol, methanol and dioxane (1g in 10 mL). Insoluble in water
• Sensibilità: Air Sensitive
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Punto di ebollizione (°C): 265-266°C
• Punto di fusione (°C): 43.0-45.0℃
• Peso molecolare: 152.150 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.047 Da
• Monoisotopic Mass: 152.047 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 135.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1