Compound: Nicotiflorin
SMILES: O=c1c(O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO[C@@H]3O[C@H]([C@H](O)[C@H]([C@H]3O)O)C)c(oc4c1c(O)cc(c4)O)-c5ccc(O)cc5
InChIKey: RTATXGUCZHCSNG-QHWHWDPRSA-N
Synonyms: Nicotiflorin, 17650-84-9, Kaempferol-3-O-rutinoside, Nictoflorin, NICOTIFLOROSIDE, Kaempferol 3-Rutinoside, Kaempferol-3-O-beta-rutinoside, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one, 4056D20K3H, kaempferol 3-O-(6''-O-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside, 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxychromen-4-one, RefChem:40126, kaempferol-3-O-alpha-L-rhamanopyranosyl-(1'''-6'')-beta-D-glucopyranoside, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((2S,5S)-3,4,5-trihydroxy-6-(((2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxychromen-4-one, Kaempferol-3-rutinoside, Kaempferol 3-O-rutinoside, MFCD03427292, Kaempferol 3-O-beta-rutinoside, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one, Flavone, 3,4',5,7-tetrahydroxy-, 3-rhamnoglucoside, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one, Kaempferol 3-O-b -Rutinoside (Nicotiflorin), Nicotiflorine, Kaempferol 3-O-|A -rutinoside, UNII-4056D20K3H, 3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ss-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Nicotiflorin; 3,4',5,7-Tetrahydroxyflavone 3-rhamnoglucoside, KAEMPFEROL 3-RHAMNOGLUCOSIDE, kampferol-3-rutinoside, Nicotiflorin (Standard), kaemferol-3-O-rutinoside, kaempferol 3-O-rutenoside, kaempferol-3-rhamnoglucoside, Kaempferol 3-rhamno-glucoside, MLS000563045, SCHEMBL240355, CHEMBL498879, MEGxp0_000024, orb1300225, orb3140593, SCHEMBL29403154, ACon1_002178, CHEBI:69657, HY-N1475R, DTXSID50938804, kaempferol-3-O-rhamnosylglucoside, kaempferol-3-O-beta-D-rutinoside, HMS2268M08, kaempferol-3-O-rhamnosyl-glucoside, HY-N1475, MSK40328, BDBM50378581, s3267, AKOS032962209, Aempferol-3-O-rutinoside(discontinued), EBC-459092, FK65430, KAEMPFEROL 3-.BETA.-RUTINOSIDE, KAEMPFEROL 3-O-beta-D-RUTINOSIDE, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one, AC-34731, AS-35049, DA-76182, KAEMPFEROL 3-O-.BETA.-RUTINOSIDE, Kaempferol-3-O-Rutinoside (Nicotiflorin), SMR001215820, SY073639, KAEMPFEROL 3-O-.BETA.-D-RUTINOSIDE, kaempferol-3-O-rhamnose-(1->6)-glucoside, CS-0016975, NS00097624, C21833, Kaempferol 3-O-beta -rutinoside, >=98.0% (HPLC), Q23058965, 3-O-[6-O-(alpha-L-rhamnosyl)-beta-D-glucosyl]kaempferol, kaempferol 3-O-[6-O-(alpha-L-rhamnosyl)-beta-D-glucoside], kaempferol-3-O-alpha-L-rhamnosyl-(1->6)-beta-D-glucoside, 3-O-(6''-O-(alpha-L-rhamnosyl)-beta-D-glucosyl)kaempferol, KAEMPFEROL-3-O-RUTINOSIDE (CONSTITUENT OF GINKGO) [DSC], kaempferol 3-O-alpha-L-rhamnopyranosyl(1->6)-beta-D-glucopyranoside, kaempferol-3-O-alpha-L-rhamnopyranosyl-(1-6)-beta-D-glucopyranoside, Rutoside Trihydrate EP Impurity B (Kaempferol-3-O-Beta-Rutinoside), kaempferal-3-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside, KAEMPFEROL 3-O-.ALPHA.-L-RHAMNOPYRANOSYL-.BETA.-D-GLUCOPYRANOSIDE, kaempferol 3-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside, kaempferol-3-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside, 5,7,4'-trihydroxyflavonol-3-O-beta-D-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside, KAEMPFEROL 3-O-(.ALPHA.-L-RHAMNOPYRANOSYL-(1->6)-.BETA.-D-GLUCOPYRANOSIDE), KAEMPFEROL 3-O-.BETA.-D-(6''-O-.ALPHA.-L-RHAMNOPYRANOSYL)GLUCOPYRANOSIDE, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 4H-1-BENZOPYRAN-4-ONE, 3-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Theoretical properties:
molecular_formula: C27H30O15
molecular_weight: 594.5 g/mol
exact_mass: 594.15847025 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 9
hydrogen_bond_acceptor_count: 15
rotatable_bond_count: 6
heavy_atom_count: 42
topological_polar_surface_area: 245 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Kaempferol-3-rutinoside is a kaempferol O-glucoside that is kaempferol attached to a rutinosyl [6-deoxy-alpha-L-mannosyl-(16)-beta-D-glucosyl] residue at position 3 via a glycosidic linkage. It has been isolated from the leaves of Solanum campaniforme. It has a role as a metabolite, a radical scavenger and a plant metabolite. It is a rutinoside, a trihydroxyflavone, a disaccharide derivative and a kaempferol O-glucoside.
chebi: A kaempferol <em>O</em>-glucoside that is  kaempferol attached to a rutinosyl [6-deoxy-α-<small>L</small>-mannosyl-(1→6)-β-<small>D</small>-glucosyl] residue at position 3 via a glycosidic linkage. It has been isolated from the leaves of <em>Solanum campaniforme</em>.
chembl: NICOTIFLOROSIDE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Acalypha indica (English: Indian acalypha, Indian mercury, Indian copperleaf, Indian nettle, three-seeded mercury) is an herbaceous annual that has catkin-like inflorescences with cup-shaped involucres surrounding the minute flowers. It is mainly known for its root being attractive to domestic cats, and for its various medicinal uses. It occurs throughout the Tropics.