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Alkaloids and derivatives
Description:
Naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.
Ancestors:
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ThermopsineCas Number: 486-90-8 Compound CID: 638234Formula: C15H20N2O Molecular Weight: 244.33IUPAC Name: (1R,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-oneSMILES: C1CCN2CC3CC(C2C1)CN4C3=CC=CC4=OInChIKey: FQEQMASDZFXSJI-UPJWGTAASA-NInChI: InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11-,12-,13+/m1/s1
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TritoqualineIUPAC Name: 7-amino-4,5,6-triethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-oneSMILES: CCOC1=C(C(=C(C2=C1C(OC2=O)C3C4=C(C5=C(C=C4CCN3C)OCO5)OC)N)OCC)OCCInChIKey: IRGJVQIJENCTQF-UHFFFAOYSA-NInChI: show more
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OxoglaucineCas Number: 5574-24-3 Compound CID: 97662IUPAC Name: 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-oneSMILES: COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=CC(=C(C=C42)OC)OC)OCInChIKey: ZYKCETVKVRJFGD-UHFFFAOYSA-NInChI: InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3
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Norcepharadione BCas Number: 57576-41-7 Compound CID: 189168IUPAC Name: 15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dioneSMILES: COC1=C(C2=C3C(=C1)C(=O)C(=O)NC3=CC4=CC=CC=C42)OCInChIKey: BAGGDUOPTSQTHD-UHFFFAOYSA-NInChI: InChI=1S/C18H13NO4/c1-22-13-8-11-14-12(19-18(21)16(11)20)7-9-5-3-4-6-10(9)15(14)17(13)23-2/h3-8H,1-2H3,(H,19,21)
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N-Boc-2-piperidinepropionic acidCas Number: 669713-96-6 Compound CID: 2756823Formula: C13H23NO4 Molecular Weight: 257.33IUPAC Name: 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acidSMILES: CC(C)(C)OC(=O)N1CCCCC1CCC(=O)OInChIKey: BRQMDBOVDLUBAI-UHFFFAOYSA-NInChI: InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-9-5-4-6-10(14)7-8-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
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LiriodenineCas Number: 475-75-2 Compound CID: 10144Formula: C17H9NO3 Molecular Weight: 275.26IUPAC Name: 3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-oneSMILES: C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53InChIKey: MUMCCPUVOAUBAN-UHFFFAOYSA-NInChI: InChI=1S/C17H9NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-7H,8H2
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LycorenineCas Number: 477-19-0 Compound CID: 160472IUPAC Name: (5aR,7S,11bS,11cS)-9,10-dimethoxy-1-methyl-3,5,5a,7,11b,11c-hexahydro-2H-isochromeno[3,4-g]indol-7-olSMILES: CN1CCC2=CCC3C(C21)C4=CC(=C(C=C4C(O3)O)OC)OCInChIKey: VHYYSQODIQWPDO-PILAGYSTSA-NInChI: InChI=1S/C18H23NO4/c1-19-7-6-10-4-5-13-16(17(10)19)11-8-14(21-2)15(22-3)9-12(11)18(20)23-13/h4,8-9,13,16-18,20H,5-7H2,1-3H3/t13-,16-,17-,18+/m1/s1
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LaurolitsineCas Number: 5890-18-6 Compound CID: 22179IUPAC Name: (6aS)-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diolSMILES: COC1=C(C=C2CC3C4=C(C2=C1)C(=C(C=C4CCN3)O)OC)OInChIKey: KYVJVURXKAZJRK-LBPRGKRZSA-NInChI: InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1
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DiscretamineCas Number: 605-34-5 Compound CID: 22955Formula: C19H21NO4 Molecular Weight: 327.4IUPAC Name: 3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diolSMILES: COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OInChIKey: KNWVMRVOBAFFMH-UHFFFAOYSA-NInChI: InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3
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DehydrocrenatineCas Number: 26585-13-7 Compound CID: 179485IUPAC Name: 1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indoleSMILES: COC1=CN=C(C2=C1C3=CC=CC=C3N2)C=CInChIKey: HJVIUZHNRJYUTG-UHFFFAOYSA-NInChI: InChI=1S/C14H12N2O/c1-3-10-14-13(12(17-2)8-15-10)9-6-4-5-7-11(9)16-14/h3-8,16H,1H2,2H3
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DehydroglaucineCas Number: 22212-26-6 Compound CID: 398788IUPAC Name: 4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaeneSMILES: CN1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)OC)OC)OC)OCInChIKey: RZUHGAKUNBFQJS-UHFFFAOYSA-NInChI: InChI=1S/C21H23NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h8-11H,6-7H2,1-5H3
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D-CorydineCas Number: 476-69-7 Compound CID: 10153Formula: C20H23NO4 Molecular Weight: 341.4IUPAC Name: (6aS)-2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-olSMILES: CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)OC)O)OCInChIKey: IDQUPXZJURZAGF-ZDUSSCGKSA-NInChI: InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)19(22)18-16(12)13(21)9-11-5-6-14(23-2)20(25-4)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1
