3-hydroxy-6-(3-hydroxy-4,13-dimethoxy-17-methyl-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-6-yl)-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one

C38H40N2O8 — CID 72827639

About 3-hydroxy-6-(3-hydroxy-4,13-dimethoxy-17-methyl-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-6-yl)-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one

3-hydroxy-6-(3-hydroxy-4,13-dimethoxy-17-methyl-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-6-yl)-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one (PubChem CID 72827639) has the molecular formula C38H40N2O8 and a molecular weight of 652.74 g/mol. Its IUPAC name is 3-hydroxy-6-(3-hydroxy-4,13-dimethoxy-17-methyl-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-6-yl)-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one.

Molecular Properties

• Compound Name: 3-hydroxy-6-(3-hydroxy-4,13-dimethoxy-17-methyl-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-6-yl)-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one
• PubChem CID: 72827639
• Molecular Formula: C38H40N2O8
• Molecular Weight: 652.74 g/mol
• Exact Mass: 652.28
• IUPAC Name: 3-hydroxy-6-(3-hydroxy-4,13-dimethoxy-17-methyl-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-6-yl)-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one
• SMILES: COC1=CC23CCN(C)C(Cc4c(-c5cc(OC)c(O)c6c5CC5C7=CC(=O)C(OC)=CC76CCN5C)cc(OC)c(O)c42)C3=CC1=O
• InChI: InChI=1S/C38H40N2O8/c1-39-9-7-37-17-31(47-5)27(41)15-23(37)25(39)11-21-19(13-29(45-3)35(43)33(21)37)20-14-30(46-4)36(44)34-22(20)12-26-24-16-28(42)32(48-6)18-38(24,34)8-10-40(26)2/h13-18,25-26,43-44H,7-12H2,1-6H3
• InChIKey: ZLUVMHRZVMNCCP-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 118.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	652.74
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(3-hydroxy-4,13-dimethoxy-17-methyl-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-6-yl)-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one?

The IUPAC name of 3-hydroxy-6-(3-hydroxy-4,13-dimethoxy-17-methyl-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-6-yl)-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one (CID 72827639) is 3-hydroxy-6-(3-hydroxy-4,13-dimethoxy-17-methyl-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-6-yl)-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one.

What is the SMILES notation for 3-hydroxy-6-(3-hydroxy-4,13-dimethoxy-17-methyl-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-6-yl)-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one?

The canonical SMILES for 3-hydroxy-6-(3-hydroxy-4,13-dimethoxy-17-methyl-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-6-yl)-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one is COC1=CC23CCN(C)C(Cc4c(-c5cc(OC)c(O)c6c5CC5C7=CC(=O)C(OC)=CC76CCN5C)cc(OC)c(O)c42)C3=CC1=O.

What is the InChIKey of 3-hydroxy-6-(3-hydroxy-4,13-dimethoxy-17-methyl-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-6-yl)-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one?

The InChIKey is ZLUVMHRZVMNCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N2O8/c1-39-9-7-37-17-31(47-5)27(41)15-23(37)25(39)11-21-19(13-29(45-3)35(43)33(21)37)20-14-30(46-4)36(44)34-22(20)12-26-24-16-28(42)32(48-6)18-38(24,34)8-10-40(26)2/h13-18,25-26,43-44H,7-12H2,1-6H3.

What are the key properties of 3-hydroxy-6-(3-hydroxy-4,13-dimethoxy-17-methyl-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-6-yl)-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one?

3-hydroxy-6-(3-hydroxy-4,13-dimethoxy-17-methyl-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-6-yl)-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one has a molecular weight of 652.74 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-6-(3-hydroxy-4,13-dimethoxy-17-methyl-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-6-yl)-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one is sourced from PubChem (CID 72827639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).