About 6,13-dimethoxy-26,33-dimethyl-10,20,30,40-tetrazanonacyclo[28.10.1.110,17.03,8.011,16.023,28.031,36.037,41.021,42]dotetraconta-1(40),3(8),4,6,11(16),12,14,17(42),20,23(28),24,26,31(36),32,34,37(41)-hexadecaene-7,27-diol;6,35-dimethoxy-17,24-dimethyl-3,13,21,31-tetrazanonacyclo[32.2.2.216,19.13,10.121,28.04,9.022,27.014,42.032,39]dotetraconta-1(36),4(9),5,7,10(42),13,16,18,22(27),23,25,28(39),31,34,37,40-hexadecaene-18,36-diol;2-[17-(2-hydroxy-3-methoxyphenyl)-21-methoxy-7-methyl-4,14,18,28-tetrazaheptacyclo[16.10.1.14,11.05,10.019,24.025,29.015,30]triaconta-1(28),5(10),6,8,11(30),14,19(24),20,22,25(29)-decaen-3-yl]-6-methylphenol;(6Z)-2-methoxy-6-[(7-methoxy-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one;(6Z)-2-methyl-6-[(7-methyl-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one
6,13-dimethoxy-26,33-dimethyl-10,20,30,40-tetrazanonacyclo[28.10.1.110,17.03,8.011,16.023,28.031,36.037,41.021,42]dotetraconta-1(40),3(8),4,6,11(16),12,14,17(42),20,23(28),24,26,31(36),32,34,37(41)-hexadecaene-7,27-diol;6,35-dimethoxy-17,24-dimethyl-3,13,21,31-tetrazanonacyclo[32.2.2.216,19.13,10.121,28.04,9.022,27.014,42.032,39]dotetraconta-1(36),4(9),5,7,10(42),13,16,18,22(27),23,25,28(39),31,34,37,40-hexadecaene-18,36-diol;2-[17-(2-hydroxy-3-methoxyphenyl)-21-methoxy-7-methyl-4,14,18,28-tetrazaheptacyclo[16.10.1.14,11.05,10.019,24.025,29.015,30]triaconta-1(28),5(10),6,8,11(30),14,19(24),20,22,25(29)-decaen-3-yl]-6-methylphenol;(6Z)-2-methoxy-6-[(7-methoxy-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one;(6Z)-2-methyl-6-[(7-methyl-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 163985193) has the molecular formula C168H160N16O16
and a molecular weight of 2659.22 g/mol. Its IUPAC name is 6,13-dimethoxy-26,33-dimethyl-10,20,30,40-tetrazanonacyclo[28.10.1.110,17.03,8.011,16.023,28.031,36.037,41.021,42]dotetraconta-1(40),3(8),4,6,11(16),12,14,17(42),20,23(28),24,26,31(36),32,34,37(41)-hexadecaene-7,27-diol;6,35-dimethoxy-17,24-dimethyl-3,13,21,31-tetrazanonacyclo[32.2.2.216,19.13,10.121,28.04,9.022,27.014,42.032,39]dotetraconta-1(36),4(9),5,7,10(42),13,16,18,22(27),23,25,28(39),31,34,37,40-hexadecaene-18,36-diol;2-[17-(2-hydroxy-3-methoxyphenyl)-21-methoxy-7-methyl-4,14,18,28-tetrazaheptacyclo[16.10.1.14,11.05,10.019,24.025,29.015,30]triaconta-1(28),5(10),6,8,11(30),14,19(24),20,22,25(29)-decaen-3-yl]-6-methylphenol;(6Z)-2-methoxy-6-[(7-methoxy-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one;(6Z)-2-methyl-6-[(7-methyl-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one.
Frequently Asked Questions
What is the IUPAC name of 6,13-dimethoxy-26,33-dimethyl-10,20,30,40-tetrazanonacyclo[28.10.1.110,17.03,8.011,16.023,28.031,36.037,41.021,42]dotetraconta-1(40),3(8),4,6,11(16),12,14,17(42),20,23(28),24,26,31(36),32,34,37(41)-hexadecaene-7,27-diol;6,35-dimethoxy-17,24-dimethyl-3,13,21,31-tetrazanonacyclo[32.2.2.216,19.13,10.121,28.04,9.022,27.014,42.032,39]dotetraconta-1(36),4(9),5,7,10(42),13,16,18,22(27),23,25,28(39),31,34,37,40-hexadecaene-18,36-diol;2-[17-(2-hydroxy-3-methoxyphenyl)-21-methoxy-7-methyl-4,14,18,28-tetrazaheptacyclo[16.10.1.14,11.05,10.019,24.025,29.015,30]triaconta-1(28),5(10),6,8,11(30),14,19(24),20,22,25(29)-decaen-3-yl]-6-methylphenol;(6Z)-2-methoxy-6-[(7-methoxy-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one;(6Z)-2-methyl-6-[(7-methyl-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one?
The IUPAC name of 6,13-dimethoxy-26,33-dimethyl-10,20,30,40-tetrazanonacyclo[28.10.1.110,17.03,8.011,16.023,28.031,36.037,41.021,42]dotetraconta-1(40),3(8),4,6,11(16),12,14,17(42),20,23(28),24,26,31(36),32,34,37(41)-hexadecaene-7,27-diol;6,35-dimethoxy-17,24-dimethyl-3,13,21,31-tetrazanonacyclo[32.2.2.216,19.13,10.121,28.04,9.022,27.014,42.032,39]dotetraconta-1(36),4(9),5,7,10(42),13,16,18,22(27),23,25,28(39),31,34,37,40-hexadecaene-18,36-diol;2-[17-(2-hydroxy-3-methoxyphenyl)-21-methoxy-7-methyl-4,14,18,28-tetrazaheptacyclo[16.10.1.14,11.05,10.019,24.025,29.015,30]triaconta-1(28),5(10),6,8,11(30),14,19(24),20,22,25(29)-decaen-3-yl]-6-methylphenol;(6Z)-2-methoxy-6-[(7-methoxy-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one;(6Z)-2-methyl-6-[(7-methyl-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one (CID 163985193) is 6,13-dimethoxy-26,33-dimethyl-10,20,30,40-tetrazanonacyclo[28.10.1.110,17.03,8.011,16.023,28.031,36.037,41.021,42]dotetraconta-1(40),3(8),4,6,11(16),12,14,17(42),20,23(28),24,26,31(36),32,34,37(41)-hexadecaene-7,27-diol;6,35-dimethoxy-17,24-dimethyl-3,13,21,31-tetrazanonacyclo[32.2.2.216,19.13,10.121,28.04,9.022,27.014,42.032,39]dotetraconta-1(36),4(9),5,7,10(42),13,16,18,22(27),23,25,28(39),31,34,37,40-hexadecaene-18,36-diol;2-[17-(2-hydroxy-3-methoxyphenyl)-21-methoxy-7-methyl-4,14,18,28-tetrazaheptacyclo[16.10.1.14,11.05,10.019,24.025,29.015,30]triaconta-1(28),5(10),6,8,11(30),14,19(24),20,22,25(29)-decaen-3-yl]-6-methylphenol;(6Z)-2-methoxy-6-[(7-methoxy-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one;(6Z)-2-methyl-6-[(7-methyl-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6,13-dimethoxy-26,33-dimethyl-10,20,30,40-tetrazanonacyclo[28.10.1.110,17.03,8.011,16.023,28.031,36.037,41.021,42]dotetraconta-1(40),3(8),4,6,11(16),12,14,17(42),20,23(28),24,26,31(36),32,34,37(41)-hexadecaene-7,27-diol;6,35-dimethoxy-17,24-dimethyl-3,13,21,31-tetrazanonacyclo[32.2.2.216,19.13,10.121,28.04,9.022,27.014,42.032,39]dotetraconta-1(36),4(9),5,7,10(42),13,16,18,22(27),23,25,28(39),31,34,37,40-hexadecaene-18,36-diol;2-[17-(2-hydroxy-3-methoxyphenyl)-21-methoxy-7-methyl-4,14,18,28-tetrazaheptacyclo[16.10.1.14,11.05,10.019,24.025,29.015,30]triaconta-1(28),5(10),6,8,11(30),14,19(24),20,22,25(29)-decaen-3-yl]-6-methylphenol;(6Z)-2-methoxy-6-[(7-methoxy-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one;(6Z)-2-methyl-6-[(7-methyl-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6,13-dimethoxy-26,33-dimethyl-10,20,30,40-tetrazanonacyclo[28.10.1.110,17.03,8.011,16.023,28.031,36.037,41.021,42]dotetraconta-1(40),3(8),4,6,11(16),12,14,17(42),20,23(28),24,26,31(36),32,34,37(41)-hexadecaene-7,27-diol;6,35-dimethoxy-17,24-dimethyl-3,13,21,31-tetrazanonacyclo[32.2.2.216,19.13,10.121,28.04,9.022,27.014,42.032,39]dotetraconta-1(36),4(9),5,7,10(42),13,16,18,22(27),23,25,28(39),31,34,37,40-hexadecaene-18,36-diol;2-[17-(2-hydroxy-3-methoxyphenyl)-21-methoxy-7-methyl-4,14,18,28-tetrazaheptacyclo[16.10.1.14,11.05,10.019,24.025,29.015,30]triaconta-1(28),5(10),6,8,11(30),14,19(24),20,22,25(29)-decaen-3-yl]-6-methylphenol;(6Z)-2-methoxy-6-[(7-methoxy-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one;(6Z)-2-methyl-6-[(7-methyl-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one is C=C1NCCc2c1n(/C=C1/C=CC=C(C)C1=O)c1cc(C)ccc21.C=C1NCCc2c1n(/C=C1/C=CC=C(OC)C1=O)c1cc(OC)ccc21.COc1ccc2c3c4n(c2c1)C(c1cccc(OC)c1O)CC1=NCCc2c1n(c1cc(C)ccc21)C(c1cccc(C)c1O)CC4=NCC3.COc1ccc2c3c4n(c2c1)Cc1c(ccc(OC)c1O)CC1=NCCc2c1n(c1cc(C)ccc21)Cc1c(ccc(C)c1O)CC4=NCC3.COc1ccc2c3c4n(c2c1)Cc1ccc(c(OC)c1O)CC1=NCCc2c1n(c1cc(C)ccc21)Cc1ccc(c(C)c1O)CC4=NCC3.
What is the InChIKey of 6,13-dimethoxy-26,33-dimethyl-10,20,30,40-tetrazanonacyclo[28.10.1.110,17.03,8.011,16.023,28.031,36.037,41.021,42]dotetraconta-1(40),3(8),4,6,11(16),12,14,17(42),20,23(28),24,26,31(36),32,34,37(41)-hexadecaene-7,27-diol;6,35-dimethoxy-17,24-dimethyl-3,13,21,31-tetrazanonacyclo[32.2.2.216,19.13,10.121,28.04,9.022,27.014,42.032,39]dotetraconta-1(36),4(9),5,7,10(42),13,16,18,22(27),23,25,28(39),31,34,37,40-hexadecaene-18,36-diol;2-[17-(2-hydroxy-3-methoxyphenyl)-21-methoxy-7-methyl-4,14,18,28-tetrazaheptacyclo[16.10.1.14,11.05,10.019,24.025,29.015,30]triaconta-1(28),5(10),6,8,11(30),14,19(24),20,22,25(29)-decaen-3-yl]-6-methylphenol;(6Z)-2-methoxy-6-[(7-methoxy-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one;(6Z)-2-methyl-6-[(7-methyl-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one?
The InChIKey is TVRGLQLZWJXRKT-IWSYNTHZSA-N. The full InChI is InChI=1S/3C42H40N4O4.C21H20N2O3.C21H20N2O/c1-23-5-11-30-32-13-16-44-35-19-26-7-9-28(41(48)42(26)50-4)22-46-37-20-29(49-3)10-12-31(37)33-14-15-43-34(38(33)46)18-25-6-8-27(40(47)24(25)2)21-45(39(32)35)36(30)17-23;1-23-5-10-28-30-13-15-44-35-19-26-8-12-38(50-4)42(48)33(26)22-46-37-20-27(49-3)9-11-29(37)31-14-16-43-34(40(31)46)18-25-7-6-24(2)41(47)32(25)21-45(39(30)35)36(28)17-23;1-23-11-13-26-28-15-17-44-33-22-37(31-9-6-10-38(50-4)42(31)48)46-35-20-25(49-3)12-14-27(35)29-16-18-43-32(40(29)46)21-36(45(39(28)33)34(26)19-23)30-8-5-7-24(2)41(30)47;1-13-20-17(9-10-22-13)16-8-7-15(25-2)11-18(16)23(20)12-14-5-4-6-19(26-3)21(14)24;1-13-7-8-17-18-9-10-22-15(3)20(18)23(19(17)11-13)12-16-6-4-5-14(2)21(16)24/h2*5-12,17,20,47-48H,13-16,18-19,21-22H2,1-4H3;5-14,19-20,36-37,47-48H,15-18,21-22H2,1-4H3;4-8,11-12,22H,1,9-10H2,2-3H3;4-8,11-12,22H,3,9-10H2,1-2H3/b;;;14-12-;16-12-.
What are the key properties of 6,13-dimethoxy-26,33-dimethyl-10,20,30,40-tetrazanonacyclo[28.10.1.110,17.03,8.011,16.023,28.031,36.037,41.021,42]dotetraconta-1(40),3(8),4,6,11(16),12,14,17(42),20,23(28),24,26,31(36),32,34,37(41)-hexadecaene-7,27-diol;6,35-dimethoxy-17,24-dimethyl-3,13,21,31-tetrazanonacyclo[32.2.2.216,19.13,10.121,28.04,9.022,27.014,42.032,39]dotetraconta-1(36),4(9),5,7,10(42),13,16,18,22(27),23,25,28(39),31,34,37,40-hexadecaene-18,36-diol;2-[17-(2-hydroxy-3-methoxyphenyl)-21-methoxy-7-methyl-4,14,18,28-tetrazaheptacyclo[16.10.1.14,11.05,10.019,24.025,29.015,30]triaconta-1(28),5(10),6,8,11(30),14,19(24),20,22,25(29)-decaen-3-yl]-6-methylphenol;(6Z)-2-methoxy-6-[(7-methoxy-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one;(6Z)-2-methyl-6-[(7-methyl-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one?
6,13-dimethoxy-26,33-dimethyl-10,20,30,40-tetrazanonacyclo[28.10.1.110,17.03,8.011,16.023,28.031,36.037,41.021,42]dotetraconta-1(40),3(8),4,6,11(16),12,14,17(42),20,23(28),24,26,31(36),32,34,37(41)-hexadecaene-7,27-diol;6,35-dimethoxy-17,24-dimethyl-3,13,21,31-tetrazanonacyclo[32.2.2.216,19.13,10.121,28.04,9.022,27.014,42.032,39]dotetraconta-1(36),4(9),5,7,10(42),13,16,18,22(27),23,25,28(39),31,34,37,40-hexadecaene-18,36-diol;2-[17-(2-hydroxy-3-methoxyphenyl)-21-methoxy-7-methyl-4,14,18,28-tetrazaheptacyclo[16.10.1.14,11.05,10.019,24.025,29.015,30]triaconta-1(28),5(10),6,8,11(30),14,19(24),20,22,25(29)-decaen-3-yl]-6-methylphenol;(6Z)-2-methoxy-6-[(7-methoxy-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one;(6Z)-2-methyl-6-[(7-methyl-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 2659.22 g/mol, XLogP of 29.73, 12 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-dimethoxy-26,33-dimethyl-10,20,30,40-tetrazanonacyclo[28.10.1.110,17.03,8.011,16.023,28.031,36.037,41.021,42]dotetraconta-1(40),3(8),4,6,11(16),12,14,17(42),20,23(28),24,26,31(36),32,34,37(41)-hexadecaene-7,27-diol;6,35-dimethoxy-17,24-dimethyl-3,13,21,31-tetrazanonacyclo[32.2.2.216,19.13,10.121,28.04,9.022,27.014,42.032,39]dotetraconta-1(36),4(9),5,7,10(42),13,16,18,22(27),23,25,28(39),31,34,37,40-hexadecaene-18,36-diol;2-[17-(2-hydroxy-3-methoxyphenyl)-21-methoxy-7-methyl-4,14,18,28-tetrazaheptacyclo[16.10.1.14,11.05,10.019,24.025,29.015,30]triaconta-1(28),5(10),6,8,11(30),14,19(24),20,22,25(29)-decaen-3-yl]-6-methylphenol;(6Z)-2-methoxy-6-[(7-methoxy-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one;(6Z)-2-methyl-6-[(7-methyl-1-methylidene-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 163985193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).