Protocatechualdehyde

• CAS: 139-85-5
• Catalog Number: ACM139855
• Category: Inhibitors
• Molecular Weight: 138.12
• Molecular Formula: C7H6O3
• Description: Protocatechualdehyde (Catechaldehyde), a natural polyphenol compound isolated from the roots of radix Salviae Miltiorrhizae, is associated with a wide variety of biological activities and has been widely used in medicine as an antioxidant, anti-aging, an antibacterial and anti-inflammatory agent.
• Synonyms: 1,2-Dihydroxy-4-formylbenzene
• IUPAC Name: 3,4-Dihydroxybenzaldehyde
• Canonical SMILES: C1=CC(=C(C=C1C=O)O)O
• InChI: InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
• InChI Key: IBGBGRVKPALMCQ-UHFFFAOYSA-N
• Boiling Point: 213.5 °C
• Melting Point: 150-157 °C(lit.)
• Density: 1.2667 g/cm³
• Appearance: Slightly brown crystalline powder
• Storage: Store below +30 °C
• Complexity: 124
• Exact Mass: 138.031694049
• Hazard Statements: Xi
• Monoisotopic Mass: 138.031694049
• pKa: 7.55
• Refractive Index: 1.4600
• Safety Description: 26-36-37/39
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Solubility In Water: 50 g/L
• Source: PlantsCompositaeHemistepta lyrataPlantsLabiatae
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07
• Topological Polar Surface Area: 57.5 Ų

Custom Q&A

What is the molecular formula of protocatechualdehyde?

The molecular formula of protocatechualdehyde is C7H6O3.

What is the molecular weight of protocatechualdehyde?

The molecular weight of protocatechualdehyde is 138.12 g/mol.

What are some synonyms of protocatechualdehyde?

Some synonyms of protocatechualdehyde include 3,4-Dihydroxybenzaldehyde, PROTOCATECHUIC ALDEHYDE, and Rancinamycin IV.

Where is protocatechualdehyde naturally found?

Protocatechualdehyde is naturally found in barley, green cavendish bananas, grapevine leaves, and the root of the herb S. miltiorrhiza.

What properties does protocatechualdehyde possess against cancer cells?

Protocatechualdehyde possesses antiproliferative and pro-apoptotic properties against human breast cancer cells and colorectal cancer cells by reducing the expression of pro-oncogenes β-catenin and cyclin D1.

What are some organisms that contain 3,4-dihydroxybenzaldehyde?

3,4-Dihydroxybenzaldehyde is found in Visnea mocanera, Amomum subulatum, and other organisms with available data.

What is the IUPAC name of protocatechualdehyde?

The IUPAC name of protocatechualdehyde is 3,4-dihydroxybenzaldehyde.

What is the InChIKey of protocatechualdehyde?

The InChIKey of protocatechualdehyde is IBGBGRVKPALMCQ-UHFFFAOYSA-N.

What is the Canonical SMILES of protocatechualdehyde?

The Canonical SMILES of protocatechualdehyde is C1=CC(=C(C=C1C=O)O)O.

What is the CAS number of protocatechualdehyde?

The CAS number of protocatechualdehyde is 139-85-5.