Pinocembrin

• CAS: 480-39-7
• Catalog Number: ACM480397
• Category: Inhibitors
• Molecular Weight: 256.25
• Molecular Formula: C15H12O4
• Description: Pinocembrin ((+)-Pinocoembrin) is a flavonoid found in propolis, acts as a competitive inhibitor of histidine decarboxylase, and is an effective anti-allergic agent, with antioxidant, antimicrobial and anti-inflammatory properties.
• Synonyms: (+)-Pinocoembrin
• Canonical SMILES: O=C1C[C@@H](C2=CC=CC=C2)OC3=CC(O)=CC(O)=C13
• Flash Point: 199.3±23.6 °C
• Density: 1.4±0.1 g/cm3
• Appearance: Solid
• Storage: Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
• Exact Mass: 256.073547
• LogP: 3.93
• PSA: 66.76000
• Refractive Index: 1.662
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Source: PlantsZingiberaceaeAlpinia katsumadai HayataPlantsother familiesBoesenbergia panduratehoneybee propolis
• Vapor Pressure: 0.0±1.4 mmHg at 25°C

Custom Q&A

What is the molecular formula of pinocembrin?

The molecular formula of pinocembrin is C15H12O4.

What is the molecular weight of pinocembrin?

The molecular weight of pinocembrin is 256.25 g/mol.

What is the IUPAC name of pinocembrin?

The IUPAC name of pinocembrin is (2S)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one.

What is the InChIKey of pinocembrin?

The InChIKey of pinocembrin is URFCJEUYXNAHFI-ZDUSSCGKSA-N.

What is the Canonical SMILES of pinocembrin?

The Canonical SMILES of pinocembrin is C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3.

What is the CAS number of pinocembrin?

The CAS number of pinocembrin is 480-39-7.

What is the XLogP3-AA value of pinocembrin?

The XLogP3-AA value of pinocembrin is 2.7.

How many hydrogen bond donor counts are there in pinocembrin?

There are 2 hydrogen bond donor counts in pinocembrin.

How many hydrogen bond acceptor counts are there in pinocembrin?

There are 4 hydrogen bond acceptor counts in pinocembrin.

How many rotatable bond counts are there in pinocembrin?

There is 1 rotatable bond count in pinocembrin.

Synthetic Use

Upstream Synthesis Route 1

• 108-73-6
• 21947-71-7

• 480-39-7

Reference: [1]Chemische Berichte,1933,vol. 66,p. 929
Nippon Kagaku Kaishi,1934,vol. 55,p. 1020,1021

Upstream Synthesis Route 2

• 480-40-0

• 480-39-7

Reference: [1]Bulletin de la Societe Chimique de France,1956,p. 144,146
[2]Journal of Natural Products,2016,vol. 79,p. 2341 - 2349

Downstream Synthesis Route 1

• 480-39-7

• 19309-14-9

Reference: [1] Journal of Scientific and Industrial Research, 1956, vol. 15B, p. 287,290[2] Chem.Abstr., 1957, p. 3500
[3] Journal of Scientific and Industrial Research, 1956, vol. 15B, p. 287,290[4] Chem.Abstr., 1957, p. 3500

Downstream Synthesis Route 2

• 480-39-7
• 127-09-3
• 108-24-7

• 88503-16-6

Reference: [1]Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan,1928,vol. 48,p. 111
Chemisches Zentralblatt,1928,vol. 99,p. 1885

* For details of the synthesis route, please refer to the original source to ensure accuracy.