25-hydroxy-6,7-dimethoxy-14-methyl-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;26-hydroxy-6,7-dimethoxy-15-methyl-9-oxa-3,15,19,21,23,25-hexazatetracyclo[18.6.1.14,8.024,27]octacosa-1(26),2,4(28),5,7,20,22,24(27)-octaen-14-one;25-hydroxy-14-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;25-hydroxy-15-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one

C99H126N28O16 — CID 158141837

About 25-hydroxy-6,7-dimethoxy-14-methyl-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;26-hydroxy-6,7-dimethoxy-15-methyl-9-oxa-3,15,19,21,23,25-hexazatetracyclo[18.6.1.14,8.024,27]octacosa-1(26),2,4(28),5,7,20,22,24(27)-octaen-14-one;25-hydroxy-14-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;25-hydroxy-15-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one

25-hydroxy-6,7-dimethoxy-14-methyl-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;26-hydroxy-6,7-dimethoxy-15-methyl-9-oxa-3,15,19,21,23,25-hexazatetracyclo[18.6.1.14,8.024,27]octacosa-1(26),2,4(28),5,7,20,22,24(27)-octaen-14-one;25-hydroxy-14-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;25-hydroxy-15-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one (PubChem CID 158141837) has the molecular formula C99H126N28O16 and a molecular weight of 1964.28 g/mol. Its IUPAC name is 25-hydroxy-6,7-dimethoxy-14-methyl-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;26-hydroxy-6,7-dimethoxy-15-methyl-9-oxa-3,15,19,21,23,25-hexazatetracyclo[18.6.1.14,8.024,27]octacosa-1(26),2,4(28),5,7,20,22,24(27)-octaen-14-one;25-hydroxy-14-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;25-hydroxy-15-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one.

Molecular Properties

• Compound Name: 25-hydroxy-6,7-dimethoxy-14-methyl-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;26-hydroxy-6,7-dimethoxy-15-methyl-9-oxa-3,15,19,21,23,25-hexazatetracyclo[18.6.1.14,8.024,27]octacosa-1(26),2,4(28),5,7,20,22,24(27)-octaen-14-one;25-hydroxy-14-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;25-hydroxy-15-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one
• PubChem CID: 158141837
• Molecular Formula: C99H126N28O16
• Molecular Weight: 1964.28 g/mol
• Exact Mass: 1962.99
• IUPAC Name: 25-hydroxy-6,7-dimethoxy-14-methyl-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;26-hydroxy-6,7-dimethoxy-15-methyl-9-oxa-3,15,19,21,23,25-hexazatetracyclo[18.6.1.14,8.024,27]octacosa-1(26),2,4(28),5,7,20,22,24(27)-octaen-14-one;25-hydroxy-14-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;25-hydroxy-15-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one
• SMILES: CN1CCN(c2ccc3cc2OCCCC(=O)N(C)CCCNc2ncnc4[nH]c(O)c(c24)/C=N\3)CC1.CN1CCN(c2ccc3cc2OCCCCC(=O)N(C)CCNc2ncnc4[nH]c(O)c(c24)/C=N\3)CC1.COc1cc2cc(c1OC)OCCCC(=O)N(C)CCCNc1ncnc3[nH]c(O)c(c13)/C=N\2.COc1cc2cc(c1OC)OCCCCC(=O)N(C)CCCNc1ncnc3[nH]c(O)c(c13)/C=N\2
• InChI: InChI=1S/2C26H34N8O3.C24H30N6O5.C23H28N6O5/c1-32-10-12-34(13-11-32)20-7-6-18-15-21(20)37-14-3-5-22(35)33(2)9-4-8-27-24-23-19(16-28-18)26(36)31-25(23)30-17-29-24;1-32-10-12-34(13-11-32)20-7-6-18-15-21(20)37-14-4-3-5-22(35)33(2)9-8-27-24-23-19(16-28-18)26(36)31-25(23)30-17-29-24;1-30-9-6-8-25-22-20-16(24(32)29-23(20)28-14-27-22)13-26-15-11-17(33-2)21(34-3)18(12-15)35-10-5-4-7-19(30)31;1-29-8-5-7-24-21-19-15(23(31)28-22(19)27-13-26-21)12-25-14-10-16(32-2)20(33-3)17(11-14)34-9-4-6-18(29)30/h2*6-7,15-17,36H,3-5,8-14H2,1-2H3,(H2,27,29,30,31);11-14,32H,4-10H2,1-3H3,(H2,25,27,28,29);10-13,31H,4-9H2,1-3H3,(H2,24,26,27,28)/b2*28-16-;26-13-;25-12-
• InChIKey: YXOAURKJOBPUDA-HUZCYVHTSA-N
• XLogP: 11.32
• TPSA: 512.80 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 6
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1964.28
LogP ≤ 5	11.32
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 25-hydroxy-6,7-dimethoxy-14-methyl-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;26-hydroxy-6,7-dimethoxy-15-methyl-9-oxa-3,15,19,21,23,25-hexazatetracyclo[18.6.1.14,8.024,27]octacosa-1(26),2,4(28),5,7,20,22,24(27)-octaen-14-one;25-hydroxy-14-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;25-hydroxy-15-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one?

The IUPAC name of 25-hydroxy-6,7-dimethoxy-14-methyl-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;26-hydroxy-6,7-dimethoxy-15-methyl-9-oxa-3,15,19,21,23,25-hexazatetracyclo[18.6.1.14,8.024,27]octacosa-1(26),2,4(28),5,7,20,22,24(27)-octaen-14-one;25-hydroxy-14-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;25-hydroxy-15-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one (CID 158141837) is 25-hydroxy-6,7-dimethoxy-14-methyl-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;26-hydroxy-6,7-dimethoxy-15-methyl-9-oxa-3,15,19,21,23,25-hexazatetracyclo[18.6.1.14,8.024,27]octacosa-1(26),2,4(28),5,7,20,22,24(27)-octaen-14-one;25-hydroxy-14-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;25-hydroxy-15-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one.

What is the SMILES notation for 25-hydroxy-6,7-dimethoxy-14-methyl-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;26-hydroxy-6,7-dimethoxy-15-methyl-9-oxa-3,15,19,21,23,25-hexazatetracyclo[18.6.1.14,8.024,27]octacosa-1(26),2,4(28),5,7,20,22,24(27)-octaen-14-one;25-hydroxy-14-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;25-hydroxy-15-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one?

The canonical SMILES for 25-hydroxy-6,7-dimethoxy-14-methyl-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;26-hydroxy-6,7-dimethoxy-15-methyl-9-oxa-3,15,19,21,23,25-hexazatetracyclo[18.6.1.14,8.024,27]octacosa-1(26),2,4(28),5,7,20,22,24(27)-octaen-14-one;25-hydroxy-14-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;25-hydroxy-15-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one is CN1CCN(c2ccc3cc2OCCCC(=O)N(C)CCCNc2ncnc4[nH]c(O)c(c24)/C=N\3)CC1.CN1CCN(c2ccc3cc2OCCCCC(=O)N(C)CCNc2ncnc4[nH]c(O)c(c24)/C=N\3)CC1.COc1cc2cc(c1OC)OCCCC(=O)N(C)CCCNc1ncnc3[nH]c(O)c(c13)/C=N\2.COc1cc2cc(c1OC)OCCCCC(=O)N(C)CCCNc1ncnc3[nH]c(O)c(c13)/C=N\2.

What is the InChIKey of 25-hydroxy-6,7-dimethoxy-14-methyl-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;26-hydroxy-6,7-dimethoxy-15-methyl-9-oxa-3,15,19,21,23,25-hexazatetracyclo[18.6.1.14,8.024,27]octacosa-1(26),2,4(28),5,7,20,22,24(27)-octaen-14-one;25-hydroxy-14-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;25-hydroxy-15-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one?

The InChIKey is YXOAURKJOBPUDA-HUZCYVHTSA-N. The full InChI is InChI=1S/2C26H34N8O3.C24H30N6O5.C23H28N6O5/c1-32-10-12-34(13-11-32)20-7-6-18-15-21(20)37-14-3-5-22(35)33(2)9-4-8-27-24-23-19(16-28-18)26(36)31-25(23)30-17-29-24;1-32-10-12-34(13-11-32)20-7-6-18-15-21(20)37-14-4-3-5-22(35)33(2)9-8-27-24-23-19(16-28-18)26(36)31-25(23)30-17-29-24;1-30-9-6-8-25-22-20-16(24(32)29-23(20)28-14-27-22)13-26-15-11-17(33-2)21(34-3)18(12-15)35-10-5-4-7-19(30)31;1-29-8-5-7-24-21-19-15(23(31)28-22(19)27-13-26-21)12-25-14-10-16(32-2)20(33-3)17(11-14)34-9-4-6-18(29)30/h2*6-7,15-17,36H,3-5,8-14H2,1-2H3,(H2,27,29,30,31);11-14,32H,4-10H2,1-3H3,(H2,25,27,28,29);10-13,31H,4-9H2,1-3H3,(H2,24,26,27,28)/b2*28-16-;26-13-;25-12-.

What are the key properties of 25-hydroxy-6,7-dimethoxy-14-methyl-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;26-hydroxy-6,7-dimethoxy-15-methyl-9-oxa-3,15,19,21,23,25-hexazatetracyclo[18.6.1.14,8.024,27]octacosa-1(26),2,4(28),5,7,20,22,24(27)-octaen-14-one;25-hydroxy-14-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;25-hydroxy-15-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one?

25-hydroxy-6,7-dimethoxy-14-methyl-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;26-hydroxy-6,7-dimethoxy-15-methyl-9-oxa-3,15,19,21,23,25-hexazatetracyclo[18.6.1.14,8.024,27]octacosa-1(26),2,4(28),5,7,20,22,24(27)-octaen-14-one;25-hydroxy-14-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;25-hydroxy-15-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one has a molecular weight of 1964.28 g/mol, XLogP of 11.32, 6 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 25-hydroxy-6,7-dimethoxy-14-methyl-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;26-hydroxy-6,7-dimethoxy-15-methyl-9-oxa-3,15,19,21,23,25-hexazatetracyclo[18.6.1.14,8.024,27]octacosa-1(26),2,4(28),5,7,20,22,24(27)-octaen-14-one;25-hydroxy-14-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;25-hydroxy-15-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one is sourced from PubChem (CID 158141837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).