Compound: Baicalin
SMILES: O=c1c2c(O)c(O)c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]3O)O)cc2oc(c1)-c4ccccc4
InChIKey: IKIIZLYTISPENI-ZFORQUDYSA-N
Synonyms: Baicalin, 21967-41-9, Baicalein 7-O-glucuronide, Baicalein 7-glucuronide, 7-D-Glucuronic acid-5,6-dihydroxyflavone, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid, 347Q89U4M5, 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, CHEBI:2981, DTXSID701346569, (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, 7-D-glucuronic acid-5,6-dihydroxy-flavone, beta-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl, RefChem:5580, DTXCID901775235, 633-784-3, 5,6,7-trihydroxyflavone-7-O-beta-D-glucuronate, MFCD00134418, CHEMBL485818, (2S,3S,4S,5R,6S)-6-((5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid, Baicalein 7-O-.beta.-D-glucuronide, (2S,3S,4S,5R,6R)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, 5,6,7-trihydroxyflavone 7-O-beta-D-glucuronide, (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid, (2S,3S,4S,5R,6S)-6-[(5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid, Baicaloside, 5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl |A-D-Glucopyranosiduronic Acid, (2S,3S,4S,5R,6S)-6-[(4,6-dihydroxy-5-oxo-2-phenyl-5H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid, Baicalein-7-O-glucuronide, Baicalin CRS, 0XE, ss-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl; Baicalin (6CI,7CI,8CI); Baicalein 7-O-glucuronide; Baicalein 7-O-ss-D-glucuronide; Baicalein 7-glucuronide, Baicalin (Standard), Baicalin, 95%, baicalein-7-glucuronide, BAICALIN [VANDF], Baicalein-7-D-glucuronide, Baicalein 7-glucuronoside;, BAICALIN [WHO-DD], 31564-28-0, baicalein-7-o-glucuronic acid, SCHEMBL285082, orb1305033, orb3140059, SCHEMBL29349819, UNII-347Q89U4M5, GTPL13076, HY-N0197R, TJN-151, GLXC-10491, BAICALIN 7-B-D-GLUCURONIDE, Baicalin, >=99.0% (HPLC), HY-N0197, MSK40031, BDBM50242173, EBC-11142, AKOS007930529, AKOS015955933, Baicalin 1000 microg/mL in Methanol, AC-7990, CCG-214128, CS-5302, MB08110, Baicalein 7-beta-D-glucopyranosiduronate, compound 15 [PMID: 37666112], NCGC00386028-03, NCGC00386028-04, (2S,3S,4S,5R,6S)-6-(5,6-DIHYDROXY-4-OXO-2-PHENYL-CHROMEN-7-YL)OXY-3,4,5-TRIHYDROXY-OXANE-2-CARBOXYLIC ACID, AS-13226, PD132941, BAICALEIN 7-O-GLUCURONIDE [USP-RS], NS00097648, 5,6,7-trihydroxyflavone-7-beta-D-glucuronide, F808019, Q2879368, BRD-K49962337-001-01-1, BAICALEIN 7-BETA-D-GLUCOPYRANOSIDURONATE HYDRATE, Baicalin, European Pharmacopoeia (EP) Reference Standard, 5,6,7-Trihydroxyflavone-7-O-.beta.-D-glucopyranosideuronic acid, 5,6-Dihydroxy-4-oxygen-2-phenyl-4H-1-benzopyran-7-beta-D-glucuronide, (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yloxy)-3,4,5-trihydroxy-tetrahydro-2H-pyran-2-carboxylic acid, (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylicacid, .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5,6-DIHYDROXY-4-OXO-2-PHENYL-4H-1-BENZOPYRAN-7-YL
Theoretical properties:
molecular_formula: C21H18O11
molecular_weight: 446.4 g/mol
exact_mass: 446.08491139 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 6
hydrogen_bond_acceptor_count: 11
rotatable_bond_count: 4
heavy_atom_count: 32
topological_polar_surface_area: 183 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Baicalin is the glycosyloxyflavone which is the 7-O-glucuronide of baicalein. It is an active ingredient of Chinese herbal medicine Scutellaria baicalensis. It has a role as an antiatherosclerotic agent, an anticoronaviral agent, an EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor, a ferroptosis inhibitor, an antioxidant, an antibacterial agent, a non-steroidal anti-inflammatory drug, an antineoplastic agent, a prodrug, a neuroprotective agent, an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor, a plant metabolite and a cardioprotective agent. It is a glucosiduronic acid, a dihydroxyflavone, a glycosyloxyflavone and a monosaccharide derivative. It is functionally related to a baicalein. It is a conjugate acid of a baicalin(1-).
chebi: The glycosyloxyflavone which is the 7-<em>O</em>-glucuronide of baicalein. It is an active ingredient of Chinese herbal medicine <em>Scutellaria baicalensis</em>.
chembl: BAICALIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Baicalin is the glucuronide of the polyphenolic compound baicalein.