All Compounds in Database

Record Name Formula Exact Mass InChIKey Proton NMR Carbon NMR
18794 CHEMBL523623 CHEMBL523623 CHEMBL523623 C24H26O6 410.173 InChIKey=PCWHSSLCNUSQJY-UHFFFAOYSA-N No Yes
18795 Glycyrrhizol A Glycyrrhizol A Glycyrrhizol A C26H28O5 420.194 InChIKey=CBPFOSMNDISZLV-UHFFFAOYSA-N No Yes
18796 Glycyrrhizol B Glycyrrhizol B Glycyrrhizol B C21H18O5 350.115 InChIKey=BKLGAGSBCOUJGV-UHFFFAOYSA-N No Yes
18797 Millewanin G Millewanin G Millewanin G C25H26O7 438.168 InChIKey=FSQKKJIBNQATIX-UHFFFAOYSA-N No Yes
18798 Millewanin H Millewanin H Millewanin H C25H26O7 438.168 InChIKey=RZHIZFURFGRHHQ-UHFFFAOYSA-N No Yes
18799 Furowanin B Furowanin B Furowanin B C25H26O7 438.168 InChIKey=YOKJEIDBLPWOSL-UHFFFAOYSA-N No Yes
18800 Abacopterin A Abacopterin A Abacopterin A C26H30O10 502.184 InChIKey=IFELYQDGJJZHIW-OOXAWIBKSA-N No Yes
18801 Abacopterin B Abacopterin B Abacopterin B C26H30O10 502.184 InChIKey=RILIBNNLUUUUJS-BDJZXEOKSA-N No Yes
18802 Abacopterin C Abacopterin C Abacopterin C C24H28O9 460.173 InChIKey=BVWNFYIRLQDZHV-AISOYTFTSA-N No Yes
18803 AbacopterinD AbacopterinD AbacopterinD C30H38O15 638.221 InChIKey=BNUJOMJNLGIKGM-HLDXYIHRSA-N No Yes
18804 Triphyllin A Triphyllin A Triphyllin A C30H40O16 656.232 InChIKey=KIOGDCNEFKPDDB-HSKOKGOGSA-N No Yes
18805 Actaealactone Actaealactone Actaealactone C18H14O8 358.069 InChIKey=DTECHVPDGIFJTE-WZUFQYTHSA-N No Yes
18807 Rautandiol A Rautandiol A Rautandiol A C20H20O5 340.131 InChIKey=MGXPFABBMNBNJN-CJESRSHOSA-N No Yes
18808 Rautandiol B Rautandiol B Rautandiol B C20H20O5 340.131 InChIKey=WZYPWKAIYULRHF-CJESRSHOSA-N No Yes
18809 4-O-beta-D-(6'-sinapoyl)glucopyranoside 4-O-beta-D-(6'-sinapoyl)glucopyranoside 4-O-beta-D-(6'-sinapoyl)glucopyranoside C25H28O13 536.153 InChIKey=SSFMJKGLSYRLSQ-KLZOENCOSA-N No Yes
18810 Methyl 5-O-caffeoyl-4-O-sinapoylquinate Methyl 5-O-caffeoyl-4-O-sinapoylquinate Methyl 5-O-caffeoyl-4-O-sinapoylquinate C28H30O13 574.169 InChIKey=HNVWFUAOTFONLC-OZJCCXEMSA-N No Yes
18811 Ethyl 5-O-caffeoyl-4-O-sinapoylquinate Ethyl 5-O-caffeoyl-4-O-sinapoylquinate Ethyl 5-O-caffeoyl-4-O-sinapoylquinate C29H32O13 588.184 InChIKey=WTUPZYOQFGPHOS-CVONDNBYSA-N No Yes
18812 Methyl 5-O-caffeoyl-3-O-sinapoylquinate Methyl 5-O-caffeoyl-3-O-sinapoylquinate Methyl 5-O-caffeoyl-3-O-sinapoylquinate C28H30O13 574.169 InChIKey=QXOKQINPRTYYQK-MORGYPQKSA-N No Yes
18813 Ethyl 5-O-caffeoyl-3-O-sinapoylquinate Ethyl 5-O-caffeoyl-3-O-sinapoylquinate Ethyl 5-O-caffeoyl-3-O-sinapoylquinate C29H32O13 588.184 InChIKey=QRWMZZNSGRCHHG-KYNPZQPJSA-N No Yes
18814 Methyl 3,5-di-O-caffeoyl-4-O-(3-hydroxy-3-methyl)glutaroylquinate Methyl 3,5-di-O-caffeoyl-4-O-(3-hydroxy-3-methyl)glutaroylquinate Methyl 3,5-di-O-caffeoyl-4-O-(3-hydroxy-3-methyl)glutaroylquinate C32H34O16 674.185 InChIKey=DARYRELQFBVEME-AGEBAOHZSA-N No Yes
18815 3',3'-Dimethylpyrano[3',4']2,4,2'-Trihydroxychalcone 3',3'-Dimethylpyrano[3',4']2,4,2'-Trihydroxychalcone 3',3'-Dimethylpyrano[3',4']2,4,2'-Trihydroxychalcone C20H18O5 338.115 InChIKey=YRSOJUCHXHTKQU-QPJJXVBHSA-N No Yes
18816 3',7-Dihydroxy-4',5,6-trimethoxyisoflavone 7-O-(5-O-trans-p-coumaroyl)-Beta-D-apiofuranosyl-(1f6)-Beta-D-glucopyranoside 3',7-Dihydroxy-4',5,6-trimethoxyisoflavone 7-O-(5-O-trans-p-coumaroyl)-Beta-D-apiofuranosyl-(1f6)-Beta-D-glucopyranoside 3',7-Dihydroxy-4',5,6-trimethoxyisoflavone 7-O-(5-O-trans-p-coumaroyl)-Beta-D-apiofuranosyl-(1f6)-Beta-D-glucopyranoside C38H40O18 784.221 InChIKey=QCJJODRTWWJORA-UARUKOOCSA-N No Yes
18817 2',7-Dihydroxy-4',5',5,6-tetramethoxyisoflavone 7-O-(5-O-transp-coumaroyl)-Beta-D-apiofuranosyl-(1f6)-Beta-D-glucopyranoside 2',7-Dihydroxy-4',5',5,6-tetramethoxyisoflavone 7-O-(5-O-transp-coumaroyl)-Beta-D-apiofuranosyl-(1f6)-Beta-D-glucopyranoside 2',7-Dihydroxy-4',5',5,6-tetramethoxyisoflavone 7-O-(5-O-transp-coumaroyl)-Beta-D-apiofuranosyl-(1f6)-Beta-D-glucopyranoside C39H42O19 814.232 InChIKey=SLCQCZUULPPJKX-VFLINKHKSA-N No Yes
18818 2',7-Dihydroxy-4',5',5,6-tetramethoxyisoflavone 7-O-Beta-D-apiofuranosyl-(1f6)-Beta-D-glucopyranoside 2',7-Dihydroxy-4',5',5,6-tetramethoxyisoflavone 7-O-Beta-D-apiofuranosyl-(1f6)-Beta-D-glucopyranoside 2',7-Dihydroxy-4',5',5,6-tetramethoxyisoflavone 7-O-Beta-D-apiofuranosyl-(1f6)-Beta-D-glucopyranoside C30H36O17 668.195 InChIKey=NNSNYMPKYJWODW-CAPWFDAUSA-N No Yes
18819 NP-016505 NP-016505 NP-016505 C28H32O14 592.179 InChIKey=OLLIISPFUQXHLB-WXLOFIPBSA-N No Yes
18820 NP-005693 NP-005693 NP-005693 C28H32O14 592.179 InChIKey=MZJUGRMCXKZMOG-QMVDJANMSA-N No Yes
18821 5-Hydroxy-3-[3-methoxy-4-[6-O-(D-apio-beta-D-furanosyl)-beta-D-glucopyranosyloxy]phenyl]-7-methoxy-4H-1-benzopyran-4-one 5-Hydroxy-3-[3-methoxy-4-[6-O-(D-apio-beta-D-furanosyl)-beta-D-glucopyranosyloxy]phenyl]-7-methoxy-4H-1-benzopyran-4-one 5-Hydroxy-3-[3-methoxy-4-[6-O-(D-apio-beta-D-furanosyl)-beta-D-glucopyranosyloxy]phenyl]-7-methoxy-4H-1-benzopyran-4-one C28H32O15 608.174 InChIKey=XJIVHUCLIXWULJ-IDLDXROJSA-N No Yes
18822 Myricetin-3-O-alpha-L-3''-acetylarabinofuranoside Myricetin-3-O-alpha-L-3''-acetylarabinofuranoside Myricetin-3-O-alpha-L-3''-acetylarabinofuranoside C22H20O13 492.090 InChIKey=SRDDHGFGQXBGTD-SCCXYENXSA-N No Yes
18823 Myricetin-3-O-alpha-L-3'',5''-diacetylarabinofuranoside Myricetin-3-O-alpha-L-3'',5''-diacetylarabinofuranoside Myricetin-3-O-alpha-L-3'',5''-diacetylarabinofuranoside C24H22O14 534.101 InChIKey=PPVYGZOQVGAOSN-DMVUFUILSA-N No Yes
18824 CHEMBL449682 CHEMBL449682 CHEMBL449682 C27H22O15 586.096 InChIKey=LFQZCBSAAFCIGV-GABSKDJNSA-N No Yes
18825 7-O-Galloyltricetiflavan 7-O-Galloyltricetiflavan 7-O-Galloyltricetiflavan C22H18O10 442.090 InChIKey=XQLJWQWRTLHKGO-UHFFFAOYSA-N No Yes
18828 Apigenin-4'-O-(2''-O-p-coumaroyl)-Beta-D-glucopyranoside Apigenin-4'-O-(2''-O-p-coumaroyl)-Beta-D-glucopyranoside Apigenin-4'-O-(2''-O-p-coumaroyl)-Beta-D-glucopyranoside C30H26O12 578.142 InChIKey=FITSQGVBTPBMCU-ZZSHFKPLSA-N No Yes
18829 2-[4-[6-O-[(E)-3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyloxy]phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one 2-[4-[6-O-[(E)-3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyloxy]phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one 2-[4-[6-O-[(E)-3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyloxy]phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one C30H26O12 578.142 InChIKey=HIVMDOSHUCWOJU-ZZSHFKPLSA-N No Yes
18830 heteranthin heteranthin heteranthin C26H34O3 394.251 InChIKey=NRLVZXUWVPUCFW-WFCITUQGSA-N No Yes
18831 Ditaxin Ditaxin Ditaxin C31H42O4 478.308 InChIKey=LTYWXDKNOZKXJR-WVZBASIFSA-N No Yes
18834 Sophoraflavanone K Sophoraflavanone K Sophoraflavanone K C26H30O7 454.199 InChIKey=MMKLLSLNPNTOCI-UHFFFAOYSA-N No Yes
18835 Sophoraflavanone L Sophoraflavanone L Sophoraflavanone L C25H28O6 424.189 InChIKey=SXRPAWKWQUYIOI-UHFFFAOYSA-N No Yes
18836 8-Lavandulylkaempferol 8-Lavandulylkaempferol 8-Lavandulylkaempferol C25H26O6 422.173 InChIKey=RLJJIYPLHFCLRD-UHFFFAOYSA-N No Yes
18837 Cyclokuraridin Cyclokuraridin Cyclokuraridin C26H30O6 438.204 InChIKey=JJMWPCIGAITBBF-DHZHZOJOSA-N No Yes
18838 2-(2,4-dihydroxy-5-prenylphenyl)-5,6-methylenedioxybenzofuran 2-(2,4-dihydroxy-5-prenylphenyl)-5,6-methylenedioxybenzofuran 2-(2,4-dihydroxy-5-prenylphenyl)-5,6-methylenedioxybenzofuran C20H18O5 338.115 InChIKey=SOYHFIGRYCLZKD-UHFFFAOYSA-N No Yes
18839 Sophoradione Sophoradione Sophoradione C25H28O7 440.184 InChIKey=NYHVTLRKAYFBIT-UHFFFAOYSA-N No Yes
18840 abyssinone IV 4'-OMe ether abyssinone IV 4'-OMe ether abyssinone IV 4'-OMe ether C26H30O4 406.214 InChIKey=UOOVGAFDYLDFRW-DEOSSOPVSA-N No Yes
18841 7-hydroxy-4''-methoxy-3''-(3-hydroxy-3-methyl-trans-but-1-enyl)-5''-(3-methylbut-2-enyl)flavanone 7-hydroxy-4''-methoxy-3''-(3-hydroxy-3-methyl-trans-but-1-enyl)-5''-(3-methylbut-2-enyl)flavanone 7-hydroxy-4''-methoxy-3''-(3-hydroxy-3-methyl-trans-but-1-enyl)-5''-(3-methylbut-2-enyl)flavanone C26H30O5 422.209 InChIKey=SRFNFECUBWLUHV-YSESTWPTSA-N No Yes
18842 abyssinone-VI-4-O-methyl ether abyssinone-VI-4-O-methyl ether abyssinone-VI-4-O-methyl ether C26H30O4 406.214 InChIKey=AHQPCANDOCWXDN-MDWZMJQESA-N No Yes
18843 5,4',1''-Trihydroxy-6,7-(3'',3''-dimethylchroman)flavone 5,4',1''-Trihydroxy-6,7-(3'',3''-dimethylchroman)flavone 5,4',1''-Trihydroxy-6,7-(3'',3''-dimethylchroman)flavone C20H18O6 354.110 InChIKey=LNOUAWTWAHZUJH-CYBMUJFWSA-N No Yes
18844 4'-O-Methyl-6-methyl-8-prenylnaringenin 4'-O-Methyl-6-methyl-8-prenylnaringenin 4'-O-Methyl-6-methyl-8-prenylnaringenin C22H24O5 368.162 InChIKey=LLJWVWIUMYXGDE-SFHVURJKSA-N No Yes
18845 Aglaroxin A 1-O-acetate Aglaroxin A 1-O-acetate Aglaroxin A 1-O-acetate C31H31N1O9 561.200 InChIKey=CZRRXJGGUKNLNR-SMEMBOTLSA-N No Yes
18846 3'-Methoxyaglaroxin A 1-O-acetate 3'-Methoxyaglaroxin A 1-O-acetate 3'-Methoxyaglaroxin A 1-O-acetate C32H33N1O10 591.210 InChIKey=NDXZPZLQQNLZFC-CPZZKNJMSA-N No Yes
18847 19,20-Dehydroedulisone 19,20-Dehydroedulisone 19,20-Dehydroedulisone C37H38N2O10 670.253 InChIKey=LBTBAFBRJMLHSK-RJOONWIBSA-N No Yes
18848 Edulirin A Edulirin A Edulirin A C36H40N2O9 644.273 InChIKey=ADLZFRJWHFEYCQ-ZYRYLFSCSA-N No Yes