Neochlorogenic acid

Neochlorogenic acid
Names
	Preferred IUPAC name (1R,3R,4S,5R)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid
	Other names 5-O-Caffeoylquinic acid; 3-O-Caffeoylquinic acid
Identifiers
CAS Number	906-33-2 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:16384 ;
ChEMBL	ChEMBL249450 ;
ChemSpider	4444237 ;
ECHA InfoCard	100.011.816
PubChem CID	5280633;
UNII	O4601UER1Z ;
CompTox Dashboard (EPA)	DTXSID301347903 ;
	InChI InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1 Key: CWVRJTMFETXNAD-NXLLHMKUSA-N ; InChI=1/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1 Key: CWVRJTMFETXNAD-NXLLHMKUBY;
	SMILES O=C(O)[C@@]2(O)C[C@@H](O)[C@H](O)[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C2;
Properties
Chemical formula	C16H18O9
Molar mass	354.311 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Neochlorogenic acid is a natural polyphenol found in some dried fruits and other plant sources, such as peaches.^[1] It is an isomer of chlorogenic acid; both of these are members of the caffeoylquinic acid class of molecules.

Urtica dioica, the European stinging nettle, is another common source.^[2]

References

↑ Infante, Rodrigo; Contador, Loreto; Rubio, Pía; Aros, Danilo; Peña-Neira, Álvaro (July–September 2011). "Postharvest sensory and phenolic characterization of 'Elegant Lady' and 'Carson' peaches". Chilean Journal of Agricultural Research. 71 (3): 445–451. doi:10.4067/S0718-58392011000300016.
↑ Đurović, Saša; Kojić, Ivan; Radić, Danka; Smyatskaya, Yulia A.; Bazarnova, Julia G.; Filip, Snežana; Tosti, Tomislav (8 March 2024). "Chemical Constituents of Stinging Nettle (Urtica dioica L.): A Comprehensive Review on Phenolic and Polyphenolic Compounds and Their Bioactivity". International Journal of Molecular Sciences. 25 (6): 3430. doi:10.3390/ijms25063430. ISSN 1422-0067. PMC 10970493. PMID 38542403.

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