Basic information
- CAS
98767-38-5- Standard SMILES
O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
RNDGJCZQVKFBPI-ASDZUOGYSA-N- Molecular formula
- C24H22O14
- Average molar mass
- 534.4 g/mol
- Monoisotopic mass
- 534.10095537
Overview
Luteolin 7-O-(6-O-malonyl-beta-D-glucoside) is a glycosyloxyflavone that is luteolin substituted by a 6-O-malonyl-beta-D-glucopyranosyl moiety at position 7 via glycosidic linkage. It is a beta-D-glucoside, a trihydroxyflavone, a malonate ester and a glycosyloxyflavone. It is functionally related to a luteolin.
Names & identifiers
- Preferred name
- Luteolin 7-O-malonylglucoside
- IUPAC
- 3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
- English name
- luteolin 7-O-(6-O-malonyl-beta-D-glucoside)
- Molecular formula
- C24H22O14
- Molecular weight
- 534.42308
Names & synonyms
Luteolin 7-O-(6''-malonylglucoside)98767-38-5DTXSID804151733-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid3-(((2R,3S,4S,5R,6S)-6-(2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methoxy)-3-oxopropanoic acidRefChem:1088615Luteolin 7-O-malonylglucosideDTXCID703660243-(((3S,4S,6S)-6-(2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methoxy)-3-oxopropanoic acidluteolin 7-O-(6-O-malonyl-beta-D-glucoside)luteolin 7-O-(6-malonyl-beta-D-glucoside)luteolin 7-O-beta-D-(6''-O-malonyl) glucopyranoside
Show more names
Luteolin 7-O-β-D-(6''-O-malonyl) glucopyranoside
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 6-O-(carboxyacetyl)-beta-D-glucopyranosideLuteolin 7-malonylglucosideLuteoline-7-malonylglucosideCHEBI:6579CHEMBL5416249SCHEMBL30491149lutelin-7-O-6''-malonylglucosideluteolin 7-O-6''-malonylglucoside
Database identifiers
- CAS
98767-38-5- PubChem CID
- 5281669
- DTXSID
DTXSID80415173- ChEMBL
CHEMBL5416249- ChEBI
CHEBI:6579- Nikkaji
- J2.507.153K
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 230 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 922
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Chemistry & industry
Suppliers9 total
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
成都普瑞法科技开发有限公司+86-28-82633860; +86-18080483897 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
Additional notes
DefinitionChEBI: Luteolin 7-O-(6-O-malonyl-beta-D-glucoside) is a glycosyloxyflavone that is luteolin substituted by a 6-O-malonyl-beta-D-glucopyranosyl moiety at position 7 via glycosidic linkage. It is a beta-D-glucoside, a glycosyloxyflavone, a malonate ester and a trihydroxyflavone. It is functionally related to a luteolin.
Related reactions
0 records
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Compound notes
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