Pectolinarin

Pectolinarin
Names
	IUPAC name 5-Hydroxy-4′,6-dimethoxy-7-[α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranosyloxy]flavone
	Systematic IUPAC name (42S,43R,44S,45S,46R,72R,73R,74R,75R,76S)-25,43,44,45,73,74,75-Heptahydroxy-14,26-dimethoxy-76-methyl-24H-3,6-dioxa-2(2,7)-[1]benzopyrana-4(2,6),7(2)-bis(oxana)-1(1)-benzenaheptaphan-24H-one
Identifiers
CAS Number	28978-02-1 ;
3D model (JSmol)	Interactive image;
ChEMBL	ChEMBL445978;
ChemSpider	147700;
PubChem CID	168849;
UNII	BY44L9O1RR ;
CompTox Dashboard (EPA)	DTXSID70951590 ;
	InChI InChI=1S/C29H34O15/c1-11-20(31)23(34)25(36)28(41-11)40-10-18-21(32)24(35)26(37)29(44-18)43-17-9-16-19(22(33)27(17)39-3)14(30)8-15(42-16)12-4-6-13(38-2)7-5-12/h4-9,11,18,20-21,23-26,28-29,31-37H,10H2,1-3H3/t11-,18+,20-,21+,23+,24-,25+,26+,28+,29+/m0/s1 Key: DUXQKCCELUKXOE-CBBZIXHGSA-N; InChI=1/C29H34O15/c1-11-20(31)23(34)25(36)28(41-11)40-10-18-21(32)24(35)26(37)29(44-18)43-17-9-16-19(22(33)27(17)39-3)14(30)8-15(42-16)12-4-6-13(38-2)7-5-12/h4-9,11,18,20-21,23-26,28-29,31-37H,10H2,1-3H3/t11-,18+,20-,21+,23+,24-,25+,26+,28+,29+/m0/s1 Key: DUXQKCCELUKXOE-CBBZIXHGBZ;
	SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)OC)O)O)O)O)O)O;
Properties
Chemical formula	C29H34O15
Molar mass	622.57 g/mol
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Pectolinarin is a Cirsium isolate with anti-inflammatory activity and similar in chemical structure to linarin.^[1]

External links

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Names

IUPAC name 5-Hydroxy-4′,6-dimethoxy-7-[α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranosyloxy]flavone
Systematic IUPAC name (4²S,4³R,4⁴S,4⁵S,4⁶R,7²R,7³R,7⁴R,7⁵R,7⁶S)-2⁵,4³,4⁴,4⁵,7³,7⁴,7⁵-Heptahydroxy-1⁴,2⁶-dimethoxy-7⁶-methyl-2⁴H-3,6-dioxa-2(2,7)-[1]benzopyrana-4(2,6),7(2)-bis(oxana)-1(1)-benzenaheptaphan-2⁴H-one
Identifiers
CAS Number	28978-02-1^Y
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL445978
ChemSpider	147700
PubChem CID	168849
UNII	BY44L9O1RR^Y
CompTox Dashboard (EPA)	DTXSID70951590
InChI InChI=1S/C29H34O15/c1-11-20(31)23(34)25(36)28(41-11)40-10-18-21(32)24(35)26(37)29(44-18)43-17-9-16-19(22(33)27(17)39-3)14(30)8-15(42-16)12-4-6-13(38-2)7-5-12/h4-9,11,18,20-21,23-26,28-29,31-37H,10H2,1-3H3/t11-,18+,20-,21+,23+,24-,25+,26+,28+,29+/m0/s1 Key: DUXQKCCELUKXOE-CBBZIXHGSA-N InChI=1/C29H34O15/c1-11-20(31)23(34)25(36)28(41-11)40-10-18-21(32)24(35)26(37)29(44-18)43-17-9-16-19(22(33)27(17)39-3)14(30)8-15(42-16)12-4-6-13(38-2)7-5-12/h4-9,11,18,20-21,23-26,28-29,31-37H,10H2,1-3H3/t11-,18+,20-,21+,23+,24-,25+,26+,28+,29+/m0/s1 Key: DUXQKCCELUKXOE-CBBZIXHGBZ
SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)OC)O)O)O)O)O)O
Properties
Chemical formula	C₂₉H₃₄O₁₅
Molar mass	622.57 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references