isochlorogenic acid B
quinic acid 3,4-di-O-caffeate
Identification
| Name | isochlorogenic acid B |
| IUPAC | (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid |
| CAS Number | 14534-61-3 |
| FDA UNII | Search |
| Molecular Formula | C25 H24 O12 |
| Molecular Weight | 516.45668000 |
| MDL Number | MFCD22375481 |
| Nikkaji Number | J93.940D |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 810.80 °C. @ 760.00 mm Hg (est) |
| Flash Point | 527.00 °F. TCC ( 274.90 °C. ) (est) |
| logP (o/w) | 0.890 (est) |
| Soluble in | water, 720.5 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | natural substances and extractives |
| Recommendation for isochlorogenic acid B usage levels up to | not for fragrance use. |
| Recommendation for isochlorogenic acid B flavor usage levels up to | not for flavor use. |
BOC Sciences
Best of Chemicals Supplier
Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...
Potential Uses
Natural Occurrence
Synonyms
cyclohexanecarboxylic acid, 3,4-bis((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,5-dihydroxy-, (1S,3R,4R,5R)-
cyclohexanecarboxylic acid, 3,4-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-, (1S,3R,4R,5R)-
3,4-
di-O-caffeoylquinic acid
4,5-
di-O-caffeoylquinic acid
3,4-
dicaffeoylquinic acid
(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-
dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
(1S,3R,4R,5R)-3,4-bis{[(2E)-3-(3,4-
dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxycyclohexanecarboxylic acid
(1S,3R,4R,5R)-3,4-bis({[(2E)-3-(3,4-
dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylic acid
quinic acid 3,4-di-O-caffeate
PubMed:
Identification and determination of major constituents in a traditional Chinese medicine compound recipe Xiongdankaiming tablet using HPLC-PDA/ESI-MS(n) and HPLC-UV/ELSD.
PubMed:
[A new method of calibration and positioning in quantitative analysis of multicomponents by single marker].
PubMed:
Structure-activity differences of chlorogenic acid and its isomers on sensitization via intravenous exposure.
PubMed:
Hepatoprotective and antiviral properties of isochlorogenic acid A from Laggera alata against hepatitis B virus infection.
PubMed:
Antitumor activity and macrophage nitric oxide producing action of medicinal herb, Crassocephalum crepidioides.
PubMed:
Virtual screening and drug design for PDE-5 receptor from traditional Chinese medicine database.
PubMed:
Studies on chlorogenic Acid biosynthesis in sweet potato root tissue in special reference to the isolation of a chlorogenic Acid intermediate.