JAZL/ChemGist-CHON huggingface dataset:
Compound: Tamarixetin
SMILES: O=c1c(O)c(oc2c1c(O)cc(c2)O)-c3cc(O)c(OC)cc3
InChIKey: FPLMIPQZHHQWHN-UHFFFAOYSA-N
Synonyms: Tamarixetin, 603-61-2, 4'-Methoxyquercetin, 4'-O-Methylquercetin, Quercetin 4'-methyl ether, 3,3',5,7-Tetrahydroxy-4'-methoxyflavone, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, 73WRA8Z8M8, 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone, 4'-Methoxy-3,3',5,7-tetrahydroxyflavone, CHEBI:67492, DTXSID00209056, RefChem:51404, DTXCID20131547, 210-050-7, 4'-O-Methyl Quercetin, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one, MFCD00017308, 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, CHEMBL226034, Chiosmethin, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromen-4-one, Quercetin-4'-methylether, Quercetin, 4'-methyl ether, UNII-73WRA8Z8M8, 3-O-rhamnopyranosyl-1-2-glucopyranoside, EINECS 210-050-7, 3-O-alpha-L-rhamnopyranosyl-1-2-beta-D-glucopyranoside, BRN 0324993, 4'-o-methyl-quercetin, Tamarixetin (Standard), 4'-Methoxy-3,3',5,7-tetrahydroxy-flavone, Flavone, 3,3',5,7-tetrahydroxy-4'-methoxy-, SCHEMBL892776, orb1297592, SCHEMBL29750609, SCHEMBL30255798, HY-N1181R, HY-N1181, BDBM50325674, LMPK12110606, AKOS024287252, EBC-462108, FM25556, 4'-methoxy-3,5,7,3'-tetrahydroflavone, AC-34261, AS-78314, DB-053606, CS-0016472, NS00034341, 4 inverted exclamation marka-O-Methyl Quercetin, E80555, FLAVONE, 4'-METHOXY-3,3',5,7-TETRAHYDROXY-, Q15427839
Theoretical properties:
molecular_formula: C16H12O7
molecular_weight: 316.26 g/mol
exact_mass: 316.05830272 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 7
rotatable_bond_count: 2
heavy_atom_count: 23
topological_polar_surface_area: 116 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Tamarixetin is a monomethoxyflavone that is quercetin methylated at position O-4'. Isolated from Cyperus teneriffae. It has a role as an antioxidant and a metabolite. It is a monomethoxyflavone, a tetrahydroxyflavone and a 7-hydroxyflavonol. It is functionally related to a quercetin.
chebi: A monomethoxyflavone that is quercetin methylated at position O-4'. Isolated from <em>Cyperus teneriffae</em>.
chembl: TAMARIXETIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Tamarixetin is an O-methylated flavonol, a naturally occurring flavonoid.  It has been isolated from Tamarix ramosissima.
Compound: Rhamnazin
SMILES: O=c1c(O)c(oc2c1c(O)cc(c2)OC)-c3cc(OC)c(O)cc3
InChIKey: MYMGKIQXYXSRIJ-UHFFFAOYSA-N
Synonyms: Rhamnazin, 552-54-5, Rhamnacine, 3',7-Dimethylquercetin, 7,3'-Di-O-methylquercetin, 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one, Flavone, 3,4',5-trihydroxy-3',7-dimethoxy-, 276CK9GP9Y, quercetin 7,3'-dimethyl ether, 3,4',5-Trihydroxy-3',7-dimethoxyflavone, NSC-678106, DTXSID00203695, RefChem:179103, DTXCID30126186, 3',7-Di-O-methyl Quercetin, 3,7-DIMETHOXY-3',4',5-TRIHYDROXYFLAVONE, 7,3'-Dimethylquercetin, 3,5,4'-Trihydroxy-7,3'-dimethoxyflavone, 3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-chromen-4-one, CHEMBL457148, Quercetin 3',7-Dimethyl ether, rhamnacene, NSC678106, 3,5-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-chromen-4-one, 4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-, UNII-276CK9GP9Y, RHAMNAZIN with HPLC, SCHEMBL39443, orb1684263, Rhamnazin, >=99% (HPLC), SCHEMBL29724889, CHEBI:133721, MYMGKIQXYXSRIJ-UHFFFAOYSA-N, HY-N8342, BDBM50292355, LMPK12112641, 3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one, AKOS040760673, FD22462, 3,4'-Trihydroxy-7,3'-dimethoxyflavone, DA-57420, NCI60_027977, C.I. 75700, CS-0143327, E87182, Q3116746, 3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-chromen-4-one #
Theoretical properties:
molecular_formula: C17H14O7
molecular_weight: 330.29 g/mol
exact_mass: 330.07395278 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 7
rotatable_bond_count: 3
heavy_atom_count: 24
topological_polar_surface_area: 105 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Rhamnacene is a dimethoxyflavone that is quercetin in which the hydroxy groups at the 3' and 7 positions have been replaced by methoxy groups. It has a role as an antineoplastic agent and a plant metabolite. It is a dimethoxyflavone, a trihydroxyflavone, a member of phenols and an aromatic ether. It is functionally related to a quercetin. It is a conjugate acid of a rhamnacene-3-olate.
chebi: A dimethoxyflavone that is quercetin in which the hydroxy groups at the 3' and 7 positions have been replaced by methoxy groups.
chembl: RHAMNAZIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Rhamnazin is an O-methylated flavonol, a type of chemical compound. It can be found in Rhamnus petiolaris, a buckthorn plant native to Iraq, Lebanon, Syria, and Turkey.
Compound: Natsudaidain
SMILES: O=c1c(O)c(oc2c1c(OC)c(OC)c(c2OC)OC)-c3cc(OC)c(OC)cc3
InChIKey: CCJBNIRSVUKABH-UHFFFAOYSA-N
Synonyms: Natsudaidain, 35154-55-3, 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,6,7,8-tetramethoxychromen-4-one, 28441ILD21, 3-Hydroxy-3',4',5,6,7,8-hexamethoxyflavone, DTXSID00188655, 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,6,7,8-tetramethoxy-, RefChem:43925, DTXCID60111146, NATSUDAIDAI, UNII-28441ILD21, 3-hydroxy-5,6,7,8,3',4'-hexamethoxyflavone, 2-(3,4-Dimethoxyphenyl)-3-hydroxy-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one, SCHEMBL890712, CHEMBL225702, orb1991740, SCHEMBL29486468, SCHEMBL30402919, SCHEMBL31237778, CHEBI:191571, HY-N12254, LMPK12113344, 2-(3,4-Dimethoxyphenyl)-3-hydroxy-5,6,7,8-tetramethoxy-4H-chromen-4-one, AKOS040735020, FS-7396, 3',4',5,6,7,8-Hexamethoxyflavonol, DA-76002, CS-0896716, G88877, 3-monohydroxy-5,6,7,8,3',4'-hexamethoxyflavone, Q3337057
Theoretical properties:
molecular_formula: C21H22O9
molecular_weight: 418.4 g/mol
exact_mass: 418.12638228 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 9
rotatable_bond_count: 7
heavy_atom_count: 30
topological_polar_surface_area: 102 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 154 - 156 °C
Descriptions:
pubchem: Natsudaidain is a hydroxyflavan.
chembl: NATSUDAIDAI is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Natsudaidain is an O-methylated flavonol, a type of chemical compound. It can be isolated from Citrus plants (Rutaceae). The name of the molecule comes from Citrus natsudaidai (Natsumikan, lit. "summer tangerine"), a fruit of Japan developed in 1740 with a particularly tart/sour taste.
Compound: Pachypodol
SMILES: O=c1c(OC)c(oc2c1c(O)cc(c2)OC)-c3cc(OC)c(O)cc3
InChIKey: KQFUXLQBMQGNRT-UHFFFAOYSA-N
Synonyms: Pachypodol, 33708-72-4, 4',5-Dihydroxy-3,3',7-trimethoxyflavone, Quercetin 3,7,3'-trimethyl ether, 5,4'-dihydroxy-3,7,3'-trimethoxyflavone, Ro 09-0179, 8AG6B2DMP5, NSC-168805, Ro-09-0179, 3,7,3'-Quercetol trimethyl ether-5,4'-dihydroxy-, Ro-090179, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxychromen-4-one, 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-, CHEBI:70007, DTXSID80187388, Ro 090179, RefChem:169456, DTXCID90109879, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-4H-chromen-4-one, CHEMBL165180, Quercetin 3,3',7-trimethyl ether, Quercetin-3,7,3'-trimethyl ether; Ro 09-0179, 5-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,7-dimethoxy-chromen-4-one, NSC 168805, Pachypodol (Standard), UNII-8AG6B2DMP5, SCHEMBL39280, orb1684346, orb3140074, SCHEMBL29929114, HY-N3121R, KQFUXLQBMQGNRT-UHFFFAOYSA-N, HY-N3121, BDBM50339157, LMPK12112754, NSC168805, 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one, AKOS032948402, AC-37071, DA-66446, MS-25274, 4,5'-dihydroxy-3,3',7-trimethoxyflavone, CS-0023301, 5,4''-dihydroxy-3,7,3''-trimethoxyflavone, E88738, 5,4'-dihydroxy-3,7,3'-quercetol trimethyl ether, Q3036425, NCGC00385819-01!5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxychromen-4-one
Theoretical properties:
molecular_formula: C18H16O7
molecular_weight: 344.3 g/mol
exact_mass: 344.08960285 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 7
rotatable_bond_count: 4
heavy_atom_count: 25
topological_polar_surface_area: 94.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Pachypodol is a trimethoxyflavone that is quercetin in which the hydroxy groups at position 3, 7 and 3' are replaced by methoxy groups. It has been isolated from Combretum quadrangulare and Euodia elleryana. It has a role as an antiemetic and a plant metabolite. It is a trimethoxyflavone and a dihydroxyflavone. It is functionally related to a quercetin.
chebi: A trimethoxyflavone that is quercetin in which the hydroxy groups at position 3, 7 and 3' are replaced by methoxy groups. It has been isolated from  <em>Combretum quadrangulare</em> and <em>Euodia elleryana</em>.
chembl: PACHYPODOL is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Pachypodol is a chemical compound classified as an O-methylated flavonol. It can be isolated from a variety of plants including Calycopteris floribunda, Pogostemon cablin, and Croton ciliatoglanduliferus.
Compound: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SMILES: O=c1c(OC2OC(C(O)C(C2O)O)CO)c(oc3c1c(O)cc(c3)O)-c4ccc(O)cc4
InChIKey: JPUKWEQWGBDDQB-UHFFFAOYSA-N
Synonyms: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one, RefChem:1072251, Astragaline;3-Glucosylkaempferol;Kaempferol 3-beta-D-glucopyranoside, Astragalin [M+H]+, kaempferol-3-O-hexoside, orb1300230, orb3140980, HMS3345C13, HMS3355G01, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one, YAA62787, EBC-615480, AS-77214, DB-051494, 3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Theoretical properties:
molecular_formula: C21H20O11
molecular_weight: 448.4 g/mol
exact_mass: 448.10056145 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 7
hydrogen_bond_acceptor_count: 11
rotatable_bond_count: 4
heavy_atom_count: 32
topological_polar_surface_area: 186 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
Compound: Lespedin;Lespenephryl
SMILES: O=c1c(OC2OC(C(O)C(C2O)O)C)c(oc3c1c(O)cc(c3)OC4OC(C(O)C(C4O)O)C)-c5ccc(O)cc5
InChIKey: PUPKKEQDLNREIM-UHFFFAOYSA-N
Synonyms: Lespedin;Lespenephryl, 5-Hydroxy-2-(4-hydroxyphenyl)-3,7-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis((3,4,5-trihydroxy-6-methyloxan-2-yl)oxy)chromen-4-one, RefChem:1088413, Kaempferitrin [M+H]+, Kaempferol-3-O-rhamnoside-7-O-rhamnoside, NS00018345, B0005-465082, kaempferol 3-O-alpha-L-rhamnopyranosyl-7-O-alpha-L-rhamnopyranoside
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: 5
heavy_atom_count: 41
topological_polar_surface_area: 225 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chebi: A glycosyloxyflavone that is kaempferol attached to  α-<small>L</small>-rhamnopyranosyl residues at positions 3 and 7 respectively via glycosidic linkages. It has been isolated from the aerial parts of <em>Vicia faba</em> and <em>Lotus edulis</em>.
wikipedia: Kaempferitrin is an organic chemical compound. It can be isolated from the leaves of Hedyotis verticillata and from Onychium japonicum.
Kaempferitrin is the 3,7-dirhamnoside of kaempferol.
Compound: 5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
SMILES: O=c1c(OC2OC(C(O)C(C2O)O)C)c(oc3c1c(O)cc(c3)O)-c4cc(O)c(O)c(c4)O
InChIKey: DCYOADKBABEMIQ-UHFFFAOYSA-N
Synonyms: 5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one, RefChem:1072260, Myricetin 3-rhamnoside, MLS000737865, Rhamnoside,myricetin-3, Myricetin 3-O-L-rhamnoside, SMR000528196, 5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one, Myricetin-3-O-alpha-L-rhamnoside, Myricetin 3-O-.alpha.-L-rhamnopyranoside, Myricitrin (8CI), Myricitrin [M+H]+, Flavone,3,3',4',5,5',7-hexahydroxy-,3-rhamnoside, CHEMBL1599224, SCHEMBL13240936, cid_5352000, DTXSID60864807, DCYOADKBABEMIQ-UHFFFAOYSA-N, BDBM115130, HMS2269N23, HMS3332B17, HMS3651A20, Myricetin 3-O-.alpha.-L-rhamnoside, NCI60_001649, DB-044353, Flavone,3',4',5,5',7-hexahydroxy-,3-rhamnoside, 5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-3-yl 6-deoxyhexopyranoside, 3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, 5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromone, 5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-4-one
Theoretical properties:
molecular_formula: C21H20O12
molecular_weight: 464.4 g/mol
exact_mass: 464.09547607 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 8
hydrogen_bond_acceptor_count: 12
rotatable_bond_count: 3
heavy_atom_count: 33
topological_polar_surface_area: 207 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 194 - 197 °C
Descriptions:
chebi: A  flavonoid oxoanion that is the conjugate base of myricitrin arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
Compound: DTXSID00927667
SMILES: O=c1c(OC2OC(C(O)C(C2O)O)COC3OC(C(O)C(C3O)OC4OC(C(O)C(C4O)O)C)C)c(oc5c1c(O)cc(c5)OC)-c6cc(O)c(O)cc6
InChIKey: NMGVHLDIHNFGQB-UHFFFAOYSA-N
Synonyms: DTXSID00927667, 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-3-yl 6-deoxyhexopyranosyl-(1->3)-6-deoxyhexopyranosyl-(1->6)hexopyranoside, RefChem:1061005, DTXCID60831034, 7-O-Methylquercetin-3-O-galactoside-6''-rhamnoside, SCHEMBL30668539
Theoretical properties:
molecular_formula: C34H42O20
molecular_weight: 770.7 g/mol
exact_mass: 770.22694372 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 11
hydrogen_bond_acceptor_count: 20
rotatable_bond_count: 9
heavy_atom_count: 54
topological_polar_surface_area: 313 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
Compound: Nobiletin
SMILES: O=c1c2c(oc(c1)-c3cc(OC)c(OC)cc3)c(OC)c(OC)c(c2OC)OC
InChIKey: MRIAQLRQZPPODS-UHFFFAOYSA-N
Synonyms: Nobiletin, 478-01-3, 5,6,7,8,3',4'-Hexamethoxyflavone, 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one, D65ILJ7WLY, NSC-76751, DTXSID30197275, 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-, NSC-618903, CHEBI:7602, RefChem:43297, DTXCID40119766, Hexamethoxyflavone, 3',4',5,6,7,8-Hexamethoxyflavone, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one, MFCD03273560, CHEMBL76447, Nobiletin (Hexamethoxyflavone), NSC76751, Flavone, 5,6,7,8,3',4'-hexamethoxy, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one, 3,4,5,6,7,8-Hexamethoxyflavone, SMR000156231, CCRIS 9012, UNII-D65ILJ7WLY, NSC 76751, nobiretin, nobliletin, hexamethoxy fl avone, Nobiletin (Standard), CPD000156231, Nobiletin, >=97%, Spectrum2_001697, Spectrum3_000921, Spectrum4_001020, NOBILETIN [USP-RS], KBioGR_001519, MLS000574877, MLS000759462, MLS000877030, MLS001424129, Nobiletin, analytical standard, SCHEMBL244029, SPECTRUM1505268, SPBio_001654, MEGxp0_000930, orb1304961, orb3139599, SCHEMBL29374681, SCHEMBL30049859, SCHEMBL30049905, ACon1_000921, GTPL12446, HY-N0155R, KBio3_001922, HMS2051D09, HMS2234A09, HMS3373C14, HMS3393D09, HMS3651G20, HMS6018N14, HEXAMETHOXYFLAVONE [WHO-DD], HY-N0155, MSK40173, BDBM50338976, CCG-38781, LMPK12111468, NSC618903, STL565829, AKOS015965334, NOBILETIN, 20% (Technical Grade), AC-1023, CS-5518, EBC-605307, FH32619, NC00186, SDCCGMLS-0066776.P001, NCGC00095703-01, NCGC00095703-02, NCGC00095703-06, NCGC00169228-01, 5,6,7,8,3'',4''-hexamethoxyflavone, AS-17452, NCI60_041691, DB-050181, N0871, NS00018303, S2333, SW197566-2, AA-504/20999058, FLAVONE, 3',4',5,6,7,8-HEXAMETHOXY-, SR-01000712262, Q2402963, SR-01000712262-5, BRD-K06753942-001-02-0, BRD-K06753942-001-14-5, 2-(3,4-Dimethoxy-phenyl)-5,6,7,8-tetramethoxy-chromen-4-one, 4H-1-Benzopyran-4-one,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-, 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one, 9CI
Theoretical properties:
molecular_formula: C21H22O8
molecular_weight: 402.4 g/mol
exact_mass: 402.13146766 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 8
rotatable_bond_count: 7
heavy_atom_count: 29
topological_polar_surface_area: 81.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 134 °C
Descriptions:
pubchem: Nobiletin is a methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 3' and 4' respectively. It has a role as an antineoplastic agent and a plant metabolite. It is functionally related to a flavone.
chebi: A methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 3' and 4' respectively.
chembl: NOBILETIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Nobiletin is a flavonoid isolated from citrus peels. It is an O-methylated flavone that has the activity to rescue bulbectomy-induced memory impairment.
Compound: Tectochrysin
SMILES: O=c1c2c(oc(c1)-c3ccccc3)cc(OC)cc2O
InChIKey: IRZVHDLBAYNPCT-UHFFFAOYSA-N
Synonyms: Tectochrysin, 520-28-5, 5-Hydroxy-7-methoxyflavone, Techtochrysin, 7-Methoxy-5-hydroxyflavone, 5-hydroxy-7-methoxy-2-phenylchromen-4-one, Flavone, 5-hydroxy-7-methoxy-, 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-phenyl-, 9UBO28W2AK, NSC-80687, 5-hydroxy-7-methoxy-2-phenyl-4H-1-benzopyran-4-one, CHEBI:9426, DTXSID40199962, RefChem:187693, DTXCID00122453, 5-Hydroxy-7-methoxy-2-phenyl-4H-chromen-4-one, Methyl chrysin, 7-O-METHYLCHRYSIN, MFCD00016945, Techtochrysin;NSC 80687, 5-Hydroxy-7-methoxy-2-phenyl-chromen-4-one, Techtochrysine, Tecto-chrysin, SMR000387029, 5-Hydroxy-7-methylflavone; 7-O-Methylchrysin; Tectochrysine, 7-methoxycrysin, NSC 80687, Chrysin 7-methylether, chrysin-7-methyl ether, Tectochrysin (Standard), Maybridge3_003219, UNII-9UBO28W2AK, Oprea1_023530, Oprea1_215176, MLS000697658, MLS001049041, SCHEMBL249043, CHEMBL164841, orb1303377, orb3140906, SCHEMBL29494561, WLZ4716, HMS1440C07, HMS2267G17, NSC80687, TNP00038, BDBM50423793, CCG-43780, HY-14592R, LMPK12110190, s3256, STK078936, AKOS000522399, EBC-466056, FT66186, IDI1_014606, NCGC00017176-01, NCGC00017176-02, NCGC00017176-03, NCGC00142540-01, AC-35028, BS-48960, HY-14592, ST057541, DB-052063, CS-0003465, 2-PHENYL-5-HYDROXY-7-METHOXYCHROMONE, VU0254572-3, AB00637079-07, SR-01000402578, 5-Hydroxy-7-methoxy-2-phenyl-4H-chromen-4-one #, Q3516969, SR-01000402578-1, SR-01000402578-2, F3097-0487
Theoretical properties:
molecular_formula: C16H12O4
molecular_weight: 268.26 g/mol
exact_mass: 268.07355886 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 2
heavy_atom_count: 20
topological_polar_surface_area: 55.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Tectochrysin is a monohydroxyflavone that is flavone substituted by a hydroxy group at position 4 and a methoxy group at position 7 respectively. It has a role as an antineoplastic agent, an antidiarrhoeal drug and a plant metabolite. It is a monomethoxyflavone and a monohydroxyflavone. It is functionally related to a flavone.
chebi: A monohydroxyflavone that is  flavone substituted by a hydroxy group at position 4 and a methoxy group at position 7 respectively.
chembl: TECHTOCHRYSIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Techtochrysin is a chemical compound. It is an O-methylated flavone, a flavonoid isolated from Prunus cerasus, the sour cherry, a plant native to much of Europe and southwest Asia.
Compound: (2S,3R,4R,5R,6S)-2-methyl-6-((2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl)oxy-tetrahydropyran-3,4,5-triol
SMILES: O1[C@@H](O)[C@H](O[C@@H]2O[C@H]([C@H](O)[C@H]([C@H]2O)O)C)[C@@H](O)[C@@H]([C@H]1CO)O
InChIKey: VSRVRBXGIRFARR-OUEGHFHCSA-N
Synonyms: (2S,3R,4R,5R,6S)-2-methyl-6-((2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl)oxy-tetrahydropyran-3,4,5-triol, (2S,3R,4R,5R,6S)-2-methyl-6-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol, GlyTouCan:G13233ZQ, RefChem:1048455, DTXCID701841119, G13233ZQ, 17074-02-1, DTXSID20937829, Neohesperidose, 2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose, C08244, alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranose, Neohesperidoside, AC1L9B54, 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranose, SureCN6521257, Ambap17074-02-1, SCHEMBL6521257, CHEBI:73992, alpha-L-Rhap-(1->2)-beta-D-Glcp, 2-O-alpha-l-rhamnosyl-beta-d-glucose, 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranose, Q3347120, 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranose
Theoretical properties:
molecular_formula: C12H22O10
molecular_weight: 326.30 g/mol
exact_mass: 326.12129689 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 7
hydrogen_bond_acceptor_count: 10
rotatable_bond_count: 3
heavy_atom_count: 22
topological_polar_surface_area: 169 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranose is a disaccharide consisting of alpha-L-rhamnose and beta-D-glucose linked via a 12 glycosidic bond. It has a role as a metabolite.
chebi: A disaccharide consisting of α-<small>L</small>-rhamnose and β-<small>D</small>-glucose linked via a 1→2 glycosidic bond.
Compound: SCHEMBL61396
SMILES: O=c1c(-c2ccc(O)cc2)coc3c1ccc(c3)OC4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO
InChIKey: KYQZWONCHDNPDP-MKJMBMEGSA-N
Synonyms: SCHEMBL61396, s2289, AKOS015895215, CCG-268838, 3-(4-hydroxyphenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
Theoretical properties:
molecular_formula: C21H20O9
molecular_weight: 416.4 g/mol
exact_mass: 416.11073221 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 5
hydrogen_bond_acceptor_count: 9
rotatable_bond_count: 4
heavy_atom_count: 30
topological_polar_surface_area: 146 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chebi: A glycosyloxyisoflavone that is  daidzein attached to a β-<small>D</small>-glucopyranosyl residue at position 7 via a glycosidic linkage. It is used in the treatment of alcohol dependency (antidipsotropic).