TCMBANKIN006711 |
sinapic acid |
A829376; (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid; 3-(3,5-Dimethoxy-4-hydroxyphenyl)acrylate; ST5308240; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid; InChI=1/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13; 85429_FLUKA; 2-propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (2E)-; 3,5-Dimethoxy-4-hydroxycinnamic acid; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid; ZB005508; 2-propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-; C00482; sinapicacid; 49508_FLUKA; MLS001066354; Sinapic acid; SXX; 3-(4-hydroxy-3,5-dimethoxyphenyl)acrylic acid; 3,5-dimethoxy-4-hydroxycinnamic acid; 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid; trans-sinapate; AIDS024970; (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoate; AC1NUT1R; NSC59261; (E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid; CHEBI:30023; 4-Hydroxy-3,5-dimethoxy-cinnamic acid; 2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (E)-; Synapoic acid; SINAPINATE; (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid; 530-59-6; AIDS-024970; D7927_SIGMA; SMR000471879; (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylic acid; CHEBI:15714; CINNAMIC ACID,3,5-DIMETHOXY,4-HYDROXY; (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate; Cinnamic acid, 4-hydroxy-3,5-dimethoxy-, (E)-; (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid; InChI=1/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3; 7362-37-0; 3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid; 3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid; 3,5-dimethoxy-4-hydroxycinnamate; 4-hydroxy-3,5-dimethoxycinnamate |
C11H12O5 |
224.21 |
COC1=CC(=CC(=C1O)OC)C=CC(=O)O |
TCMBANKIN009659 |
Isorhamnetin-3-arabinoglucoside |
AC1NSX4F; 3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one; isorhamnetin-3-arabinoglucoside |
C27H30O16 |
610.57 |
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)OC5C(C(C(CO5)O)O)O)O)O)O |
TCMBANKIN012423 |
Aureusidin-6-glucoside |
Aureusidin 6-O-glucoside; 3(2H)-Benzofuranone, 2-((3,4-dihydroxyphenyl)methylene)-6-(beta-D-glucopyranosyloxy)-4-hydroxy-, (2Z)-; 633-15-8; C16409; (2Z)-2-[(3,4-dihydroxyphenyl)methylene]-4-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzofuran-3-one; (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one; (2Z)-2-[(3,4-dihydroxyphenyl)methylene]-4-hydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3-benzofuranone; 2-((3,4-Dihydroxyphenyl)methylene)-6-(beta-D-glucopyranosyloxy)-4-hydroxy-3(2H)-benzofuranone; aureusidin-6-glucoside; (2Z)-2-(3,4-dihydroxybenzylidene)-4-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzofuran-3-one |
C21H20O11 |
448.38 |
C1=CC(=C(C=C1C=C2C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O |
TCMBANKIN022566 |
Diosphenol |
SCHEMBL873797; C09854; EINECS 207-704-9; AC1L2WHG; AC1Q6D64; QSIMLPCPCXVYDD-UHFFFAOYSA-N; Buchu camphor; 1-p-menthen-2-ol-3-one; CTK8I8590; LMPR0102090061; Barosma camphor; AKOS022505068; 2-Cyclohexen-1-one, 2-hydroxy-3-methyl-6-(1-methylethyl)-; DTXSID5052127; diosphenol; Buccocamphor; AN-21384; 2-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one; 2-Hydroxy-6-isopropyl-3-methyl-2-cyclohexen-1-one; 2-Hydroxy-6-isopropyl-3-methyl-2-cyclohexen-1-one #; 2-hydroxy-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-one; 2-hydroxy-6-isopropyl-3-methyl-cyclohex-2-en-1-one; 2-Hydroxypiperitone; 490-03-9; CHEBI:4632; 2-Hydroxy-6-(isopropyl)-3-methylcyclohex-2-en-1-one |
C10H16O2 |
168.23 |
CC1=C(C(=O)C(CC1)C(C)C)O |
TCMBANKIN030638 |
Aureusidin |
(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3(2H)-one; aureusidin; 2-(3,4-dihydroxybenzylidene)-4,6-dihydroxy-benzofuran-3-one; 38216-54-5; (2Z)-2-[(3,4-dihydroxyphenyl)methylene]-4,6-dihydroxy-benzofuran-3-one; (2Z)-2-(3,4-dihydroxybenzylidene)-4,6-dihydroxy-benzofuran-3-one; CHEBI:18149; 2-[(3,4-dihydroxyphenyl)methylene]-4,6-dihydroxy-benzofuran-3-one; (2Z)-2-[(3,4-dihydroxyphenyl)methylene]-4,6-dihydroxy-3-benzofuranone; 2-[(3,4-dihydroxyphenyl)methylene]-4,6-dihydroxy-3-benzofuranone; 2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one; C08576; (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one |
C15H10O6 |
286.24 |
C1=CC(=C(C=C1C=C2C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
TCMBANKIN030894 |
8-geranyloxy psoralen |
9-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; MolPort-004-956-052; AKOS016009380; 9-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one; KB-250505; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3,7-dimethyl-2,6-octadienyl)oxy)-; 9-((2E)-3,7-dimethylocta-2,6-dienyloxy)furano[3,2-g]chromen-2-one; AC1NSVSU; 8-Geranoxypsoralen; Xanthotoxol geranyl ether; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-; 9-((3,7-Dimethylocta-2,6-dien-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one; AK112332; 9-Geranyloxypsoralen; SMR001397031; W1271; 7437-55-0; BDBM50361381; NCGC00142593-02; MLS002472920; (E)-9-((3,7-Dimethyl-2,6-octadienyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one; 8-geranoxy-psoralen; 8-Geranyloxy psoralen; AX8156636; ST069304; 8-Geranyloxypsoralen, analytical standard; 8-geranyloxypsoralen; 9-{[(2E)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL]OXY}FURO[3,2-G]CHROMEN-7-ONE; CHEMBL1412710; NCGC00142593-01; 9-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H-furo[3,2-g]chromen-2-one; ZINC2529828; 71612-25-4; SOVNCTNQAWWYAQ-OQLLNIDSSA-N; AJ-38441; ST24045829; 9-((3,7-Dimethylocta-2,6-dien-1-yl)-oxy)-7H-furo[3,2-g]chromen-7-one; SCHEMBL4538668; 8-geranyloxypsoralen, AldrichCPR; HMS2268O12; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3,7-dimethyl-2,6-octadienyl)oxy)-, (E)- |
C21H22O4 |
338.4 g/mol |
CC(=CCCC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C)C |
TCMBANKIN031914 |
hespertitinic acid |
|
|
|
|
TCMBANKIN035085 |
neohesperidin |
13241-33-3; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one; (2S)-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-(3-hydroxy-4-methoxyphenyl)chroman-4-one; 4h-1-benzopyran-4-one,2,3-dihydro-7-((2-o-(6-deoxy-alpha-l-mannopyranosyl)-bet; C09806; (S)-4'-Methoxy-3′,5,7-trihydroxyflavanone-7-[2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside]; N1887_SIGMA; AC-7971; Hesperetin 7-O-neohesperidoside; Neohesperidin; (2S)-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-(3-hydroxy-4-methoxy-phenyl)chroman-4-one; (2S)-7-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one; AKOS015965187; SMP1_000209 |
C28H34O15 |
610.6 g/mol |
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O |
TCMBANKIN036863 |
hesperidin |
Hesperetin 7-O-rutinoside; Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(6-O-alpha-L-rhamnosyl-delta-glucoside) (7CI); (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromanone; 15512-51-3; Hesperitin-7-rhamnoglucoside; (2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chroman-4-one; Hesperetin-rutinosid; 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-((6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)oxy)-4-chromanon; 520-26-3; CHEBI:28775; (S)-7-[[6-O-(6-Deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one; (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(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]oxychroman-4-one; 5-18-05-00218 (Beilstein Handbook Reference); hesperidin ; BSPBio_000619; Hesperidin; BRN 0075140; Atripliside B; 7-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, (S)-; D01038; BCBcMAP01_000136; 3',5'-Dihydroxy-4'-methoxy-7-rutinosyloxyflavan-4-on; 7-(6-O-Desoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanon; (2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(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-chroman-4-one; CCRIS 3940; Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(6-O-a-L-rhamnosyl-D-glucoside) (7CI); Glucopyranoside, hesperetin-7 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-; NSC 44184; (S)-(--)-hesperidin; (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside; Prestwick3_000400; 106904-63-6; 28283-75-2; Hesperidine; C09755; AIDS-001414; 16643-24-6; SMP1_000149; Ciratin; Hesperetin, 7-(6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside); Hesperidin (JAN); 17654-22-7; 32737-61-4; 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydo-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-; Hesperetin-rutinoside; EINECS 208-288-1; STOCK1N-12322; AIDS001414; BPBio1_000681; 30927-97-0; Hesper bitabs; 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-; (2S)-Hesperidin |
C28H34O15 |
611 |
C([H])([H])([H])[C@]1([H])O[C@@]([H])(OC([H])([H])[C@]2([H])O[C@]([H])(Oc3c([H])c(O[C@@]([H])(c4c([H])c([H])c(OC([H])([H])[H])c(O[H])c4[H])C([H])([H])C5=O)c5c(O[H])c3[H])[C@@]([H])(O[H])[C@]([H])(O[H]
)[C@@]2([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H] |
TCMBANKIN036880 |
diosmin |
520-27-4; C10039; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(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; 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.- D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-; Diosmin [INN]; Diosmetin 7-O-rutinoside; AIDS059330; Diosmine [INN-French]; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chromen-4-one; Diosminum [INN-Latin]; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromenone; AIDS-059330; Diosmin [INN-Spanish]; 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(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-chromone; CCRIS 7915; SMP1_000183; EINECS 208-289-7; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(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; D3908; diosmin ; Diosmin; STOCK1N-14729 |
C28H32O15 |
608.5 g/mol |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O |
TCMBANKIN038204 |
ferulic acid |
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; caffeic acid 3-methyl ether; ferulicacid; A803063; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate; CJ-00500; ZB002373; ferulate; CHEBI:29749; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; 3-Methoxy-4-hydroxy-trans-cinnamate; (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate; Ferulic Acid; AC1NUT2L; ferulic acid |
C10H10O4 |
194.18 |
COC1=C(C=CC(=C1)C=CC(=O)O)[O-] |
TCMBANKIN038848 |
isorhamnetin-3-alpha-l-arabofuranoside |
isorhamnetin-3-α-l-arabofuranoside |
C21H20O11 |
448.377 |
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O |
TCMBANKIN044127 |
narirutin |
C09793; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromanone; CHEBI:28705; LMPK12140236; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(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]oxychroman-4-one; narirutin; Naringenin 7-O-rutinoside; 14259-46-2; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chroman-4-one; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(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-chroman-4-one |
C27H32O14 |
581 |
c1(O[H])c([H])c([H])c([C@]2([H])Oc(c([H])c(O[C@@]3([H])O[C@@]([H])(C([H])([H])O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])O4)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]
3([H])O[H])c([H])c5O[H])c5C(=O)C2([H])[H])c([H])c1[H] |
TCMBANKIN044756 |
6,8-bis(c-glucosyl)-apigenin |
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C27H30O15 |
|
C1=CC(=CC=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)O)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O |
TCMBANKIN045930 |
Sinapine |
18696-26-9; AK676101; ZINC1532786; C00933; Ethanaminium, 2-((3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethyl-; 2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethylethanaminium; AC1Q65Q4; Sinapine bisulphate; sinapic acid choline ester; 09211A0HHL; ACon1_000255; 2-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]-N,N,N-trimethylethanaminium; UNII-09211A0HHL; MCULE-2468175287; Q-100224; O-sinapoylcholine; CHEBI:16353; AC1NQWZ5; 2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)-N,N,N-trimethylethanaminium; BRD-K21295184-064-01-0; 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium; 4-Hydroxy-3,5-dimethoxycinnamate choline; BG01022959; MEGxp0_001763; AKOS030626997; C16H24NO5; DTXSID10171957; Sinapoylcholine; Ethanaminium,2-[[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-N,N,N-trimethyl-; Sinapine; 8262AH; sinapoylcholine; sina-pine; 2-(4-hydroxy-3,5-dimethoxycinnamoyloxy)-N,N,N-trimethylethanaminium; MolPort-019-904-083 |
C17H25N2O5S |
370 |
O(C(=O)\C([H])=C([H])\c1c([H])c(OC([H])([H])[H])c(O[H])c(OC([H])([H])[H])c1[H])C([H])([H])C([H])([H])N(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H].N#CS |
TCMBANKIN050023 |
6'',8'-bisdiosquinone |
|
C44H26O14 |
|
|
TCMBANKIN058114 |
trans-caffeic acid |
3-(3,4-dihydroxy-phenyl)-acrylic acid; caffeic acid; Caffeate; Lopac-C-0625; 71693-97-5; DivK1c_006624; KBio2_007302; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NCGC00015206-02; CAS-3331-39-5; 60020_FLUKA; AI3-63211; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid polymer; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NSC623438; 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene; KBio2_004734; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; CHEMBL1320034; AIDS-002287; AIDS002287; 501-16-6; CHEBI:36281; Prestwick1_000902; KBio1_001568; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid; AKOS000273846; OR1165; SMR000058214; Spectrum2_001612; 3,4-dihydroxycinnamate; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeicacid; KOP; AC1NO658; CCRIS 847; Caffeic acid dehydrogenation homopolymer; SPECTRUM1503987; Spectrum4_001694; SCHEMBL3682144; NCGC00017364-01; NCGC00022654-08; 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene; 78734C5A-1281-44D4-B8A0-A3188AD437E3; cis-Caffeic acid; 3-(3,4-dihydroxyphenyl)acrylic acid; Cinnamic acid, 3,4-dihydroxy-; KBioGR_001988; 3,4-Dihydroxybenzeneacrylic acid; 3,4-dihydroxycinnamic acid; trans-caffeic acid; AIDS-026339; NCGC00015206-01; HSDB 7088; ZINC4482687; (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; 3-(3,4-dihydroxyphenyl)prop-2-enoate; Isocaffeic acid; SBB006475; InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2; NCGC00017364-02; EU-0100208; C01197; MolPort-001-759-162; KBioSS_002166; Caffeic acid pure; caffeic acid ; trans-Caffeate; (2E)-3-(3,4-dihydroxyphenyl)acrylic acid; NSC 57197; (2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid; Spectrum_001686; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-; KBio2_002166; Caffeic acid, cis-; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-; 3,4-Dihydroxybenzeneacrylate; 3-(3,4-Dihydroxy phenyl)-2-propenoic acid; 4361-87-9; 3,4-Dihydroxy-trans-cinnamate; caffeicacid; AR-360/40806927; EINECS 206-361-2; 60018_FLUKA; Caffeic acid polymer; (E)-3-(3,4-dihydroxyphenyl)acrylic acid; NCGC00022654-04; ZX-AL002121; C0625_SIGMA; SDCCGMLS-0002982.P003; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, homopolymer; SPBio_001643; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- (9CI); NCGC00017364-03; 3-(3,4-dihydroxyphenyl)prop-2-enoic acid; AC1LU7RL; SPBio_002943; CHEBI:16433; AIDS026339; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, homopolymer; CHEBI:17395; TNP00311; SpecPlus_000528; Prestwick0_000902; MLS000069738; 3,4-dihydroxy-cinnamic acid; 3-(3,4-Dihydroxyphenyl)propenoic acid; NCI60_004400; NSC57197; Caffeic; Lopac-C-0625; NCGC00015206-01; Caffeic acid; cis-Caffeic acid; NCGC00017364-01; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; C01481; 331-39-5; NCGC00015206-02; CAS-3331-39-5; 3,4-Dihydroxycinnamic acid; CHEBI:17395; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; TNP00311; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeate; 1- coffee acid |
C9H8O4 |
180.16 g/mol |
C1=CC(=C(C=C1C=CC(=O)O)O)O |
TCMBANKIN058137 |
quercetin-3,5-diglucoside |
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C27H30O17 |
|
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O |
TCMBANKIN058139 |
Quercetin-3,7-di-O-beta-d-glucoside |
quercetin-3,7-di-O-β-D-glucoside; quercetin-3-o-β-d-galactoside-7-o-β-glucoside; quercetin-3,7-diglucoside |
C27H30O17 |
626.5 g/mol |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O |
TCMBANKIN058272 |
esculetin |
AIDS-014709; CCG-38509; Cichoriin aglycon; KBioSS_001646; KUC108669N; NSC-26428; ZINC00057908; SM2XD6V944; HMS1570L22; ILEDWLMCKZNDJK-UHFFFAOYSA-N; NSC26428; Esculetol; ZX-AN021876; BPBio1_000968; MolPort-000-709-311; 6,7-Dihydroxycoumarin, 8CI; FCH1117729; ST24044991; 6,7-dihydroxy-2-chromenone; Coumarin, 6,7-dihydroxy-; NCGC00094873-01; KBio1_001374; NCGC00016425-01; Prestwick1_000940; AS-11863; LS-55161; CHEBI:490095; 2H-1-BENZOPYRAN-2-ONE,6,7-DIHYDROXY; RTR-013104; KSC-11-243-1; 7H-1-Benzopyran-7-one, 2,6-dihydroxy-; Esculetol); W-2566; DTXSID3075383; KS-0000017Z; 2,6-Dihydroxy-7H-chromen-7-one; NCGC00016425-04; Cichoriin aglucon; Spectrum5_000512; CD-051; ZX-AFC000486; BG01504928; KSC148K7L; SR-01000721907-2; HMS1921M14; ACM305356; E0386; Aesculetin (cichorigenin; NSC 26428; Aesculetin; s4711; EBD2197580; NCGC00016425-05; NCGC00094873-02; AK591206; AN-44203; BRN 0152788; 6,7-dihydroxy-2H-chromen-2-one; Esculatin; KBio2_006782; AB00489955; GTPL5180; SCHEMBL24641; 6,7-Dihydroxycoumarin; ACMC-20luwt; SR-01000721907; Esculin aglycon; SPECTRUM1500899; MFCD00006874; Cichorigenin; BIB6051; UNII-SM2XD6V944; I14-1622; BDBM34571; ST5306833; CHEMBL244743; TR-013104; MLS000069479; CAS-305-01-1; 6,7-Dihydroxy-2-chromenone; SMR000059055; C09263; 6,7-dihydroxychromen-2-one; esculetin ; HMS3373K09; DivK1c_006430; 3.05E+13; E-3401; HMS2233G24; InChI=1/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11; SpecPlus_000334; Spectrum4_001886; MCULE-4460039316; Esculetin; AC1NQYFH; Prestwick2_000940; A820407; Prestwick3_000940; Oprea1_719746; 6,7-bis(oxidanyl)chromen-2-one; Asculetine; ST079379; KBioGR_002416; AIDS014709; AC-18400; AKOS030559695; 91753-33-2; CJ-00486; KBio3_001584; FT-0620854; SMP2_000093; 305-01-1; AB0010898; 5-18-03-00202 (Beilstein Handbook Reference); CE0046; KBio2_001646; BSPBio_000880; Spectrum2_000586; 6,7-Dihydroxy-2H-1-benzopyran-2-one; SC-45867; DB-014626; CC-22332; BSPBio_002364; CTK3G3670; SDCCGMLS-0066669.P001; ALBB-023362; SPBio_000432; AC1Q7980; 6,7-Dihydroxy-2-benzopyrone; Prestwick0_000940; AJ-09788; C-06350; NCGC00016425-03; AK114506; 6,7-Dihydroxycoumarin, 98%; ZINC57908; EINECS 206-161-5; cid_5281416; BRD-K58149231-001-06-9; 2H-1-Benzopyran-2-one, 6,7-dihydroxy-; bmse000986; 4CN-0872; 6,7-dihydroxy-1-benzopyran-2-one; BN0888; HMS2097L22; Bio-0588; SPBio_003049; C9H6O4; E-3400; KBio2_004214; Spectrum_001166; Esculetin, analytical standard; 2H-1-Benzopyran-2-one, 6,7-dihydroxy- (9CI); N1764; 6,7-DIHYDROXYCOUMARIN; Coumarin, 6,7-dihydroxy- Esculetin; J10146; Esculetin, European Pharmacopoeia (EP) Reference Standard; 246573_ALDRICH; ZB002263; Esculin aglucon; 6,7-dihydroxy-coumarin; KB-50565; NCI60_002119; ANW-43483; 6,7-Dihydroxy-2H-chromen-2-one; D0YZ5G; NCGC00016425-06; Jsp005751; AX8020100; AKOS000276955; NCGC00016425-02; CCRIS 7065; 6,7-Dihydroxy-2H-chromen-2-one #; Spectrum3_000752; 6, 7-dihydroxycoumarin; aesculetin; 6,7-dihydroxycoumarin; 6,7-dihydroxy coumarin; CCG-38509; Cichoriin aglycon; KBioSS_001646; KUC108669N; NSC-26428; SM2XD6V944; HMS1570L22; ILEDWLMCKZNDJK-UHFFFAOYSA-N; NSC26428; Esculetol; ZX-AN021876; BPBio1_000968; MolPort-000-709-311; 6,7-Dihydroxycoumarin, 8CI; FCH1117729; ST24044991; Coumarin, 6,7-dihydroxy-; NCGC00094873-01; KBio1_001374; NCGC00016425-01; Prestwick1_000940; AS-11863; LS-55161; CHEBI:490095; 2H-1-BENZOPYRAN-2-ONE,6,7-DIHYDROXY; RTR-013104; KSC-11-243-1; 7H-1-Benzopyran-7-one, 2,6-dihydroxy-; Esculetol); W-2566; DTXSID3075383; KS-0000017Z; 2,6-Dihydroxy-7H-chromen-7-one; NCGC00016425-04; Cichoriin aglucon; Spectrum5_000512; CD-051; ZX-AFC000486; BG01504928; KSC148K7L; SR-01000721907-2; HMS1921M14; ACM305356; E0386; Aesculetin (cichorigenin; NSC 26428; Aesculetin; s4711; EBD2197580; NCGC00016425-05; NCGC00094873-02; AK591206; AN-44203; BRN 0152788; Esculatin; KBio2_006782; AB00489955; GTPL5180; SCHEMBL24641; ACMC-20luwt; SR-01000721907; Esculin aglycon; SPECTRUM1500899; MFCD00006874; Cichorigenin; BIB6051; UNII-SM2XD6V944; I14-1622; BDBM34571; CHEMBL244743; TR-013104; MLS000069479; CAS-305-01-1; 6,7-Dihydroxy-2-chromenone; SMR000059055; C09263; 6,7-dihydroxychromen-2-one; HMS3373K09; DivK1c_006430; 3.05E+13; E-3401; HMS2233G24; InChI=1/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11; SpecPlus_000334; Spectrum4_001886; MCULE-4460039316; Esculetin; AC1NQYFH; Prestwick2_000940; A820407; Prestwick3_000940; Oprea1_719746; 6,7-bis(oxidanyl)chromen-2-one; Asculetine; ST079379; KBioGR_002416; AC-18400; AKOS030559695; 91753-33-2; CJ-00486; KBio3_001584; FT-0620854; SMP2_000093; 305-01-1; AB0010898; 5-18-03-00202 (Beilstein Handbook Reference); CE0046; KBio2_001646; BSPBio_000880; Spectrum2_000586; 6,7-Dihydroxy-2H-1-benzopyran-2-one; SC-45867; DB-014626; CC-22332; BSPBio_002364; CTK3G3670; SDCCGMLS-0066669.P001; ALBB-023362; SPBio_000432; AC1Q7980; 6,7-Dihydroxy-2-benzopyrone; Prestwick0_000940; AJ-09788; C-06350; NCGC00016425-03; AK114506; 6,7-Dihydroxycoumarin, 98%; ZINC57908; EINECS 206-161-5; cid_5281416; BRD-K58149231-001-06-9; 2H-1-Benzopyran-2-one, 6,7-dihydroxy-; bmse000986; 4CN-0872; 6,7-dihydroxy-1-benzopyran-2-one; BN0888; HMS2097L22; Bio-0588; SPBio_003049; C9H6O4; E-3400; KBio2_004214; Spectrum_001166; Esculetin, analytical standard; 2H-1-Benzopyran-2-one, 6,7-dihydroxy- (9CI); N1764; 6,7-DIHYDROXYCOUMARIN; Coumarin, 6,7-dihydroxy- Esculetin; J10146; Esculetin, European Pharmacopoeia (EP) Reference Standard; ZB002263; Esculin aglucon; 6,7-dihydroxy-coumarin; KB-50565; NCI60_002119; ANW-43483; 6,7-Dihydroxy-2H-chromen-2-one; D0YZ5G; NCGC00016425-06; Jsp005751; AX8020100; AKOS000276955; NCGC00016425-02; CCRIS 7065; 6,7-Dihydroxy-2H-chromen-2-one #; Spectrum3_000752 |
C9H6O4 |
178.14 g/mol |
C1=CC(=O)OC2=CC(=C(C=C21)O)O |
TCMBANKIN058848 |
geraniol acetate |
75157-67-4; (E)-3,7-dimethyl-2,6-octadien-1-yl ace tate; SCHEMBL6569468; 3,7-Dimethyl-trans-2,6-octadien-1-yl acetate; 3,7-dimethyl-2-trans,6-octadienyl acetate; LS-392; (E)-3,7-dimethyl-2,6-octadien-1-ol acetate; (1E/Z)-acetic acid 2,6-dimethylhepta-1,5-dienyl ester; geranoil acetate; geranylacetate; geranyl acetate |
C11H18O2 |
182.26 g/mol |
CC(=CCCC(=COC(=O)C)C)C |
TCMBANKIN059219 |
neohopadiene |
AC1NSZ1J; (5bR,11aS)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b-dodecahydrocyclopenta[a]chrysene; 11,13(18)-neohopadiene |
C30H48 |
|
CC(C)C1CCC2=C3C=CC4C5(CCCC(C5CCC4(C3(CCC12C)C)C)(C)C)C |
TCMBANKIN059566 |
6-O-E-Feruloylajugol |
|
|
524.57 |
CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)OC)O |
TCMBANKIN060176 |
naringin;Naringenin- 7- O- β- D- neohesperidoside |
|
C27H32O14 |
580.53 |
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O |