TCMBANKIN041402 |
chlorogenic acid |
3-methyl-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid; 4-prop-1-enylbenzene-1,2-diol; A821421; 4-prop-1-enylbenzene-1,2-diol; 1,3,4-trihydroxy-5-methyl-1-cyclohexanecarboxylic acid; chlorogenic acid ; Chlorogenic acid; chlorogenicacid |
C16H18O9 |
354.309 |
C1([H])([H])[C@](C(O[H])=O)(O[H])C([H])([H])[C@@]([H])(OC(=O)\C([H])=C([H])/c2c([H])c([H])c(O[H])c(O[H])c2[H])[C@]([H])(O[H])[C@@]1([H])O[H] |
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 |
TCMBANKIN058265 |
skimmin;Skimmin (8CI) |
2H-1-Benzopyran-2-one, 7-(.beta.-D-glucopyranosyloxy)-; NSC267696; NSC-267696; 7-Hydroxycoumarin-7-glucoside; UMBELLIFERONE GLUCOSIDE; 93-39-0; 7-[3,4,5-trihydroxy-6-(hydroxymethyl)-2H-3,4,5,6-tetrahydropyran-2-yloxy]chrom en-2-one; ST077080; AC1L8222; 7-{[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}CHROMEN-2-ONE; Coumarin, 7-(.beta.-D-glucopyranosyloxy)-; Skimmine; 7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one; Umbelliferone, .beta.-D-glucopyranoside |
C15H16O8 |
324.28 g/mol |
C1=CC(=CC2=C1C=CC(=O)O2)OC3C(C(C(C(O3)CO)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 |
TCMBANKIN061528 |
scopoletin |
NINDS_000720; 7-hydroxy-6-methoxy-coumarin; NCGC00016349-05; 6-methoxy-7-hydroxycoumarin; 6-methoxy-7-oxidanyl-chromen-2-one; CHEBI:17488; SPBio_002884; HMS1571A05; RODXRVNMMDRFIK-UHFFFAOYSA-N; NCGC00016349-08; TR-029034; 5-18-03-00203 (Beilstein Handbook Reference); Acid, Gelseminic; 6-Methylesculetin; UNII-KLF1HS0SXJ; 7-hydroxy 6-methoxy coumarine; Scopoletin, >=99%; AB00443525; beta -methylesculetin; CS-5791; BRN 0156296; NCGC00094973-02; SR-01000841273-4; HMS2268G04; SCHEMBL147702; scopoletin ; Prestwick3_000962; CHEMBL71851; Escopoletin; Spectrum2_001207; HMS2098A05; NCGC00016349-07; NCGC00094973-03; Murrayetin; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; Bio-0208; NCGC00016349-02; Prestwick2_000962; ZB002243; BG01509594; NCGC00016349-03; BPBio1_001061; Scopoletin, analytical standard; AX8035441; 0B4B9FAA-686D-4977-AA08-65F8E4F1977C; BRD-K96163925-001-06-5; ZX-AN021883; FCH1115349; AC1NQX27; 7-hydroxy-6-methoxy-chromen-2-one; KBio3_002444; DTXSID0075368; 7-Hydroxy-5-methoxycoumarin; SC-90283; ST24045669; b-Methylaesculetin; KBioGR_001348; 7-Hydroxy-6-methoxy-2H-chromen-2-one #; Gelseminic acid; ZX-AFC000681; S0367; MLS002154074; 4CN-0905; 6-O-Methylesculetin; HMS502D22; KLF1HS0SXJ; MCULE-6077230919; MLS002472878; IDI1_000720; SPECTRUM1502242; Aesculetin 6-methyl ether; C-30831; MFCD00006872; Scopoletol; Buxuletin; AB0019688; CC-34387; Chrysotropic Acid; RTR-029034; ACon1_000143; CCRIS 3592; 6-Methoxyumbelliferone; LS-55217; NSC-405647; NSC 405647; 6-Methoxy-7-hydroxycoumarin; Esculetin-6-methyl ether; BDBM50156693; ZX-AT021192; AK111291; Scopoletin, United States Pharmacopeia (USP) Reference Standard; 7-Hydroxy-6-methoxy-2H-chromen-2-one; I14-14171; Prestwick1_000962; PubChem15777; MolPort-000-707-493; DivK1c_000720; A844290; AN-42608; NCGC00016349-04; ST056287; ZINC57733; BSPBio_002944; Chrysatropic acid; NCI60_003834; CAS-92-61-5; Acid, Chrysotropic; NSC405647; SR-01000841273; Prestwick0_000962; BSPBio_000963; KBio1_000720; FT-0631451; beta-Methylesculetin; Spectrum4_001054; SR-01000841273-3; AJ-09778; 7-Hydroxy-6-methoxycoumarin; W-3522; MEGxp0_001192; HY-N0342; NCGC00016349-06; Scopoletine; 7-hydroxy-6-methoxy-1-benzopyran-2-one; 006S872; OR22352; S-2000; NCGC00094973-01; EINECS 202-171-9; TNP00096; KS-00000YGS; Spectrum5_000654; Spectrum3_001532; TD8126; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); SPBio_000994; AKOS000277133; COUMARIN, 7-HYDROXY-6-METHOXY-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; SMR000112541; BIDD:PXR0125; CCG-39140; Esculetin 6-methyl ether; D05QOR; 92-61-5; ALBB-023369; 7-hydroxy-6-methoxychromen-2-one; C01752; BIS1402; HMS1921N16; KB-249948; .beta.-Methylesculetin; NCGC00016349-01; Baogongteng B; 7-hydroxy-6-methoxy-chromen-2-one; KBio3_002444; NINDS_000720; 7-Hydroxy-5-methoxycoumarin; 7-hydroxy-6-methoxy-coumarin; Scopoletine; S2500_SIGMA; 7-hydroxy-6-methoxy-2H-chromen-2-one; CHEBI:17488; KBioGR_001348; SPBio_002884; Prestwick1_000962; NCGC00094973-01; 5-18-03-00203 (Beilstein Handbook Reference); EINECS 202-171-9; scopoletol; TNP00096; AIDS-014975; Gelseminic acid; DivK1c_000720; 6-O-Methylesculetin; Spectrum5_000654; Spectrum3_001532; 6-Methylesculetin; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); MEGxp0_001192; SPBio_000994; Scopoletin; 84792_FLUKA; IDI1_000720; COUMARIN, 7-HYDROXY-6-METHOXY-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; ST056287; NCGC00094973-02; BRN 0156296; SPECTRUM1502242; Esculetin 6-methyl ether; BSPBio_002944; Chrysatropic acid; NCI60_003834; CAS-92-61-5; Prestwick3_000962; 7-hydroxy-6-methoxy-2-chromenone; Escopoletin; Spectrum2_001207; NCGC00094973-03; Murrayetin; 92-61-5; NSC405647; BSPBio_000963; NCGC00016349-02; KBio1_000720; 7-hydroxy-6-methoxychromen-2-one; Prestwick0_000962; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; C01752; ZINC00057733; AIDS014975; Prestwick2_000962; Spectrum4_001054; beta-Methylesculetin; ACon1_000143; BPBio1_001061; CCRIS 3592; 6-Methoxyumbelliferone; 7-Hydroxy-6-methoxycoumarin; .beta.-Methylesculetin; NCGC00016349-01; NSC 405647; 6-Methoxy-7-hydroxycoumarin; Esculetin-6-methyl ether; 6-methoxy-7-hydroxycoumarin; 7- hydroxy- 6-methoxy- coumarin; 6-methoxy-7-hydroxy coumarin; Scopoletol |
C10H8O4 |
192.17 g/mol |
COC1=C(C=C2C(=C1)C=CC(=O)O2)O |
TCMBANKIN061530 |
scopolin |
scopolin ; Scopolin; 6-METHOXY-7-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDRO-1-BENZOPYRAN-2-ONE;6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one; 7-(beta-D-glucopyranosoyloxy)-6-methoxy-2H-1-benzopyran-2-one; 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one; CHEBI:16065; 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin; ZINC04082214; STOCK1N-54345; 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one; 6-methoxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-chromenone;6-methoxy-2-oxo-2H-chromen-7-yl beta-D-glucopyranoside |
C16H18O9 |
354.31 g/mol |
COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O |
TCMBANKIN061792 |
syringin |
C17H24O9; Glucoside, 4-(3-hydroxypropenyl)-2,6-dimethoxyphenyl, D; beta-D-Glucopyranoside, 4-(3-hydroxy-1-propenyl)-2,6-dimethoxyphenyl; LS-172368; Ligustrin (VAN); NSC 287441;syringenone;Syrigin;cis-syringin;ligustrin |
C17H24O9 |
372.4 g/mol |
COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO |