Casticin

• CAS: 479-91-4
• Catalog Number: ACM479914
• Category: Other Products
• Molecular Weight: 374.34
• Molecular Formula: C19H18O8
• Synonyms: 3,4',6,7-Tetramethoxy-3',5-dihydroxyflavone
• IUPAC Name: 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one
• Canonical SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O
• InChI: InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
• InChI Key: PJQLSMYMOKWUJG-UHFFFAOYSA-N
• Boiling Point: 617.7±55.0 °C
• Melting Point: 186-187 °C
• Density: 1.44±0.1 g/ml
• Appearance: Dark brown solid
• pKa: 1.44±0.1

Custom Q&A

What is the PubChem CID for casticin?

PubChem CID 5315263.

What is the molecular formula of casticin?

The molecular formula is C19H18O8.

What is the molecular weight of casticin?

The molecular weight is 374.3 g/mol.

What is the IUPAC name of casticin?

The IUPAC name is 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one.

What is the InChI of casticin?

The InChI is InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3.

What is the InChIKey of casticin?

The InChIKey is PJQLSMYMOKWUJG-UHFFFAOYSA-N.

What is the canonical SMILES of casticin?

The canonical SMILES is COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O.

What is the CAS number of casticin?

The CAS number is 479-91-4.

What is the ChEMBL ID of casticin?

The ChEMBL ID is CHEMBL452767.

What is the Wikipedia page for casticin?

The Wikipedia page for casticin is "Casticin."

Synthetic Use

Downstream Synthesis Route 1

• 479-91-4
• 108-24-7

• 76215-22-0

Reference: [1]Díaz, Fredyc; Chávez, Daniel; Lee, Dongho; Mi, Qiuwen; Chai, Hee-Byung; Tan, Ghee T.; Kardono, Leonardus B. S.; Riswan, Soedarsono; Fairchild, Craig R.; Wild, Robert; Farnsworth, Norman R.; Cordell, Geoffrey A.; Pezzuto, John M.; Kinghorn, A. Douglas
[Journal of Natural Products, 2003, vol. 66, # 6, p. 865 - 867]
[2]Raffauf; Menachery; Le Quesne; et al.
[Journal of Organic Chemistry, 1981, vol. 46, # 6, p. 1094 - 1098]

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