Compound: Rhoifolin
SMILES: O=c1c2c(oc(c1)-c3ccc(O)cc3)cc(O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O[C@@H]5O[C@H]([C@H](O)[C@H]([C@H]5O)O)C)O)CO)cc2O
InChIKey: RPMNUQRUHXIGHK-PYXJVEIZSA-N
Synonyms: Rhoifolin, 17306-46-6, Rhoifoloside, Apigenin-7-O-neohesperidoside, Apigenin 7-O-neohesperidoside, Apigenin-7-O-rhamnoglucoside, K86F9AKS2A, CHEBI:31227, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one, DTXSID10938284, NSC-649413, 4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-, 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside, 7-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one, 4',5,7-trihydroxyflavone-7-rhamnoglucoside, RefChem:179315, DTXCID201366823, 241-335-4, 7-((2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one, 7-(4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one, Apigenin-7-Neohesperidoside, MFCD00016773, 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one, rhoifolina, EINECS 241-335-4, RHIOFOLEN, Rhoifolin (Standard), NSC 649413, Spectrum_001547, SpecPlus_000505, Spectrum2_001641, Spectrum3_001920, Spectrum4_001919, Spectrum5_000638, UNII-K86F9AKS2A, RHOIFOLIN [USP-RS], BSPBio_003520, KBioGR_002545, KBioSS_002027, DivK1c_006601, SCHEMBL118911, SPECTRUM1504075, SPBio_001761, CHEMBL395990, orb1305066, orb3140828, apigenin 7-O-beta-neospheroside, Apigenin 7-O-beta-D-rutinoside, SCHEMBL29429804, HY-N0755R, KBio1_001545, KBio2_002027, KBio2_004595, KBio2_007163, KBio3_003025, RPMNUQRUHXIGHK-PYXJVEIZSA-N, apigenin 7-O-beta-neohesperidoside, HY-N0755, MSK40167, BDBM50587668, CCG-38761, s9084, AKOS037514818, EBC-615536, OA65402, SDCCGMLS-0066828.P001, NCGC00178013-01, NCGC00178013-02, 7-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, AC-34965, AS-74974, DA-57432, CS-0009783, APIGENIN 7-O-.BETA.-D-NEOHESPERIDOSIDE, Apigenin 7-O-neohesperidoside, >=99.0% (HPLC), Q3429675, BRD-K23327891-001-02-3, BRD-K23327891-001-03-1, 4H-1-BENZOPYRAN-4-ONE, 7-((2-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-5-HYDROXY-2-(4-HYDROXYPHENYL)-, 4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]-oxy]-5-hydroxy-2-(4-hydroxyphenyl)-, 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, 7-[[2-O-(6-Deoxy-|_-L-mannopyranosyl)-|_-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 7-[[2-O-(6-Deoxy-|A-L-mannopyranosyl)-|A-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Theoretical properties:
molecular_formula: C27H30O14
molecular_weight: 578.5 g/mol
exact_mass: 578.16355563 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 8
hydrogen_bond_acceptor_count: 14
rotatable_bond_count: 6
heavy_atom_count: 41
topological_polar_surface_area: 225 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Apigenin 7-O-neohesperidoside is an apigenin derivative having an alpha-(12)-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety attached to the 7-hydroxy group. It has a role as a metabolite. It is a neohesperidoside, a dihydroxyflavone and a glycosyloxyflavone. It is functionally related to an apigenin.
chebi: An apigenin derivative having an α-(1→2)-<small>L</small>-rhamnopyranosyl)-β-<small>D</small>-glucopyranosyl moiety attached to the 7-hydroxy group.
chembl: RHOIFOLIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Rhoifolin is a chemical compound. It is first isolated from plant Rhus succedanea. The term "Rhoi" derived from generic name of plant Rhus. It is a flavone, a type of flavonoid isolated from Boehmeria nivea, China grass or ramie (leaf), from Citrus limon, Canton lemon (leaf), from Citrus x aurantium, the bigarade or bitter orange (plant), from Citrus x paradisi, the grapefruit (leaf), from Ononis campestris, the cammock (shoot) and from Sabal serratula, the serenoa or sabal fruit (plant).