5-hydroxy-6-methoxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;5-hydroxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-one;5-hydroxy-7-(4-morpholin-4-ylbutoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;3,4,5-trihydroxy-6-(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid

C112H115N3O39 — CID 159201474

About 5-hydroxy-6-methoxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;5-hydroxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-one;5-hydroxy-7-(4-morpholin-4-ylbutoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;3,4,5-trihydroxy-6-(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid

5-hydroxy-6-methoxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;5-hydroxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-one;5-hydroxy-7-(4-morpholin-4-ylbutoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;3,4,5-trihydroxy-6-(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid (PubChem CID 159201474) has the molecular formula C112H115N3O39 and a molecular weight of 2127.13 g/mol. Its IUPAC name is 5-hydroxy-6-methoxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;5-hydroxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-one;5-hydroxy-7-(4-morpholin-4-ylbutoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;3,4,5-trihydroxy-6-(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-hydroxy-6-methoxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;5-hydroxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-one;5-hydroxy-7-(4-morpholin-4-ylbutoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;3,4,5-trihydroxy-6-(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
• PubChem CID: 159201474
• Molecular Formula: C112H115N3O39
• Molecular Weight: 2127.13 g/mol
• Exact Mass: 2125.71
• IUPAC Name: 5-hydroxy-6-methoxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;5-hydroxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-one;5-hydroxy-7-(4-morpholin-4-ylbutoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;3,4,5-trihydroxy-6-(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
• SMILES: CN1CCN(CCCCOc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)CC1.COc1c(OC2OC(C(=O)O)C(O)C(O)C2O)cc2oc(-c3ccccc3)cc(=O)c2c1O.COc1c(OC2OC(CO)C(O)C(O)C2O)cc2oc(-c3ccccc3)cc(=O)c2c1O.O=c1cc(-c2ccccc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12.O=c1cc(-c2ccccc2)oc2cc(OCCCCN3CCOCC3)cc(O)c12
• InChI: InChI=1S/C24H28N2O4.C23H25NO5.C22H20O11.C22H22O10.C21H20O9/c1-25-10-12-26(13-11-25)9-5-6-14-29-19-15-20(27)24-21(28)17-22(30-23(24)16-19)18-7-3-2-4-8-18;25-19-14-18(28-11-5-4-8-24-9-12-27-13-10-24)15-22-23(19)20(26)16-21(29-22)17-6-2-1-3-7-17;1-30-19-13(32-22-18(27)16(25)17(26)20(33-22)21(28)29)8-12-14(15(19)24)10(23)7-11(31-12)9-5-3-2-4-6-9;1-29-21-14(31-22-20(28)19(27)17(25)15(9-23)32-22)8-13-16(18(21)26)11(24)7-12(30-13)10-5-3-2-4-6-10;22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h2-4,7-8,15-17,27H,5-6,9-14H2,1H3;1-3,6-7,14-16,25H,4-5,8-13H2;2-8,16-18,20,22,24-27H,1H3,(H,28,29);2-8,15,17,19-20,22-23,25-28H,9H2,1H3;1-8,16,18-23,25-27H,9H2
• InChIKey: KPIQOFNJQLIQDJ-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 623.28 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 41
• Rotatable Bonds: 28
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2127.13
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methoxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;5-hydroxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-one;5-hydroxy-7-(4-morpholin-4-ylbutoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;3,4,5-trihydroxy-6-(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid?

The IUPAC name of 5-hydroxy-6-methoxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;5-hydroxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-one;5-hydroxy-7-(4-morpholin-4-ylbutoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;3,4,5-trihydroxy-6-(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid (CID 159201474) is 5-hydroxy-6-methoxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;5-hydroxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-one;5-hydroxy-7-(4-morpholin-4-ylbutoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;3,4,5-trihydroxy-6-(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid.

What is the SMILES notation for 5-hydroxy-6-methoxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;5-hydroxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-one;5-hydroxy-7-(4-morpholin-4-ylbutoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;3,4,5-trihydroxy-6-(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid?

The canonical SMILES for 5-hydroxy-6-methoxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;5-hydroxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-one;5-hydroxy-7-(4-morpholin-4-ylbutoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;3,4,5-trihydroxy-6-(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid is CN1CCN(CCCCOc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)CC1.COc1c(OC2OC(C(=O)O)C(O)C(O)C2O)cc2oc(-c3ccccc3)cc(=O)c2c1O.COc1c(OC2OC(CO)C(O)C(O)C2O)cc2oc(-c3ccccc3)cc(=O)c2c1O.O=c1cc(-c2ccccc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12.O=c1cc(-c2ccccc2)oc2cc(OCCCCN3CCOCC3)cc(O)c12.

What is the InChIKey of 5-hydroxy-6-methoxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;5-hydroxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-one;5-hydroxy-7-(4-morpholin-4-ylbutoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;3,4,5-trihydroxy-6-(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid?

The InChIKey is KPIQOFNJQLIQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4.C23H25NO5.C22H20O11.C22H22O10.C21H20O9/c1-25-10-12-26(13-11-25)9-5-6-14-29-19-15-20(27)24-21(28)17-22(30-23(24)16-19)18-7-3-2-4-8-18;25-19-14-18(28-11-5-4-8-24-9-12-27-13-10-24)15-22-23(19)20(26)16-21(29-22)17-6-2-1-3-7-17;1-30-19-13(32-22-18(27)16(25)17(26)20(33-22)21(28)29)8-12-14(15(19)24)10(23)7-11(31-12)9-5-3-2-4-6-9;1-29-21-14(31-22-20(28)19(27)17(25)15(9-23)32-22)8-13-16(18(21)26)11(24)7-12(30-13)10-5-3-2-4-6-10;22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h2-4,7-8,15-17,27H,5-6,9-14H2,1H3;1-3,6-7,14-16,25H,4-5,8-13H2;2-8,16-18,20,22,24-27H,1H3,(H,28,29);2-8,15,17,19-20,22-23,25-28H,9H2,1H3;1-8,16,18-23,25-27H,9H2.

What are the key properties of 5-hydroxy-6-methoxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;5-hydroxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-one;5-hydroxy-7-(4-morpholin-4-ylbutoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;3,4,5-trihydroxy-6-(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid?

5-hydroxy-6-methoxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;5-hydroxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-one;5-hydroxy-7-(4-morpholin-4-ylbutoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;3,4,5-trihydroxy-6-(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid has a molecular weight of 2127.13 g/mol, XLogP of 8.37, 28 rotatable bonds, 17 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-6-methoxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;5-hydroxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-one;5-hydroxy-7-(4-morpholin-4-ylbutoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;3,4,5-trihydroxy-6-(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid is sourced from PubChem (CID 159201474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).