2-methyl-6-(4-methyl-2-methylidenechromen-7-yl)oxyoxane-3,4,5-triol;tris(4-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one);4-methyl-7-(3,4,5-trihydroxyoxan-2-yl)oxychromen-2-one

C80H90O37 — CID 157305157

About 2-methyl-6-(4-methyl-2-methylidenechromen-7-yl)oxyoxane-3,4,5-triol;tris(4-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one);4-methyl-7-(3,4,5-trihydroxyoxan-2-yl)oxychromen-2-one

2-methyl-6-(4-methyl-2-methylidenechromen-7-yl)oxyoxane-3,4,5-triol;tris(4-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one);4-methyl-7-(3,4,5-trihydroxyoxan-2-yl)oxychromen-2-one (PubChem CID 157305157) has the molecular formula C80H90O37 and a molecular weight of 1643.56 g/mol. Its IUPAC name is 2-methyl-6-(4-methyl-2-methylidenechromen-7-yl)oxyoxane-3,4,5-triol;tris(4-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one);4-methyl-7-(3,4,5-trihydroxyoxan-2-yl)oxychromen-2-one.

Molecular Properties

• Compound Name: 2-methyl-6-(4-methyl-2-methylidenechromen-7-yl)oxyoxane-3,4,5-triol;tris(4-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one);4-methyl-7-(3,4,5-trihydroxyoxan-2-yl)oxychromen-2-one
• PubChem CID: 157305157
• Molecular Formula: C80H90O37
• Molecular Weight: 1643.56 g/mol
• Exact Mass: 1642.52
• IUPAC Name: 2-methyl-6-(4-methyl-2-methylidenechromen-7-yl)oxyoxane-3,4,5-triol;tris(4-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one);4-methyl-7-(3,4,5-trihydroxyoxan-2-yl)oxychromen-2-one
• SMILES: C=C1C=C(C)c2ccc(OC3OC(C)C(O)C(O)C3O)cc2O1.Cc1cc(=O)oc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12.Cc1cc(=O)oc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12.Cc1cc(=O)oc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12.Cc1cc(=O)oc2cc(OC3OCC(O)C(O)C3O)ccc12
• InChI: InChI=1S/C17H20O6.3C16H18O8.C15H16O7/c1-8-6-9(2)21-13-7-11(4-5-12(8)13)23-17-16(20)15(19)14(18)10(3)22-17;3*1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16;1-7-4-12(17)22-11-5-8(2-3-9(7)11)21-15-14(19)13(18)10(16)6-20-15/h4-7,10,14-20H,2H2,1,3H3;3*2-5,11,13-17,19-21H,6H2,1H3;2-5,10,13-16,18-19H,6H2,1H3
• InChIKey: BCJLZSLKPOFHBK-UHFFFAOYSA-N
• XLogP: -1.04
• TPSA: 586.51 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 37
• Rotatable Bonds: 13
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1643.56
LogP ≤ 5	-1.04
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methyl-2-methylidenechromen-7-yl)oxyoxane-3,4,5-triol;tris(4-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one);4-methyl-7-(3,4,5-trihydroxyoxan-2-yl)oxychromen-2-one?

The IUPAC name of 2-methyl-6-(4-methyl-2-methylidenechromen-7-yl)oxyoxane-3,4,5-triol;tris(4-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one);4-methyl-7-(3,4,5-trihydroxyoxan-2-yl)oxychromen-2-one (CID 157305157) is 2-methyl-6-(4-methyl-2-methylidenechromen-7-yl)oxyoxane-3,4,5-triol;tris(4-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one);4-methyl-7-(3,4,5-trihydroxyoxan-2-yl)oxychromen-2-one.

What is the SMILES notation for 2-methyl-6-(4-methyl-2-methylidenechromen-7-yl)oxyoxane-3,4,5-triol;tris(4-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one);4-methyl-7-(3,4,5-trihydroxyoxan-2-yl)oxychromen-2-one?

The canonical SMILES for 2-methyl-6-(4-methyl-2-methylidenechromen-7-yl)oxyoxane-3,4,5-triol;tris(4-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one);4-methyl-7-(3,4,5-trihydroxyoxan-2-yl)oxychromen-2-one is C=C1C=C(C)c2ccc(OC3OC(C)C(O)C(O)C3O)cc2O1.Cc1cc(=O)oc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12.Cc1cc(=O)oc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12.Cc1cc(=O)oc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12.Cc1cc(=O)oc2cc(OC3OCC(O)C(O)C3O)ccc12.

What is the InChIKey of 2-methyl-6-(4-methyl-2-methylidenechromen-7-yl)oxyoxane-3,4,5-triol;tris(4-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one);4-methyl-7-(3,4,5-trihydroxyoxan-2-yl)oxychromen-2-one?

The InChIKey is BCJLZSLKPOFHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O6.3C16H18O8.C15H16O7/c1-8-6-9(2)21-13-7-11(4-5-12(8)13)23-17-16(20)15(19)14(18)10(3)22-17;3*1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16;1-7-4-12(17)22-11-5-8(2-3-9(7)11)21-15-14(19)13(18)10(16)6-20-15/h4-7,10,14-20H,2H2,1,3H3;3*2-5,11,13-17,19-21H,6H2,1H3;2-5,10,13-16,18-19H,6H2,1H3.

What are the key properties of 2-methyl-6-(4-methyl-2-methylidenechromen-7-yl)oxyoxane-3,4,5-triol;tris(4-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one);4-methyl-7-(3,4,5-trihydroxyoxan-2-yl)oxychromen-2-one?

2-methyl-6-(4-methyl-2-methylidenechromen-7-yl)oxyoxane-3,4,5-triol;tris(4-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one);4-methyl-7-(3,4,5-trihydroxyoxan-2-yl)oxychromen-2-one has a molecular weight of 1643.56 g/mol, XLogP of -1.04, 13 rotatable bonds, 18 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-6-(4-methyl-2-methylidenechromen-7-yl)oxyoxane-3,4,5-triol;tris(4-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one);4-methyl-7-(3,4,5-trihydroxyoxan-2-yl)oxychromen-2-one is sourced from PubChem (CID 157305157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).