7-hydroxy-2-(2-hydroxypropyl)-5-methyl-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one;7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one

C38H46O18 — CID 158622930

IUPAC7-hydroxy-2-(2-hydroxypropyl)-5-methyl-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one;7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one
SMILESCC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(O)C(O)C(O)C3CO)c2o1.Cc1cc(O)c(C2OC(O)C(O)C(O)C2CO)c2oc(CC(C)O)cc(=O)c12
InChIInChI=1S/C19H24O9.C19H22O9/c2*1-7-3-11(22)14(17-10(6-20)15(24)16(25)19(26)28-17)18-13(7)12(23)5-9(27-18)4-8(2)21/h3,5,8,10,15-17,19-22,24-26H,4,6H2,1-2H3;3,5,10,15-17,19-20,22,24-26H,4,6H2,1-2H3
InChIKeyHYFPKHMEXUODIS-UHFFFAOYSA-N
MW790.77 g/mol
LogP-0.89
Rot. Bonds8

About 7-hydroxy-2-(2-hydroxypropyl)-5-methyl-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one;7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one

7-hydroxy-2-(2-hydroxypropyl)-5-methyl-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one;7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one (PubChem CID 158622930) has the molecular formula C38H46O18 and a molecular weight of 790.77 g/mol. Its IUPAC name is 7-hydroxy-2-(2-hydroxypropyl)-5-methyl-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one;7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-(2-hydroxypropyl)-5-methyl-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one;7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one
PubChem CID158622930
Molecular FormulaC38H46O18
Molecular Weight790.77 g/mol
Exact Mass790.27
IUPAC Name7-hydroxy-2-(2-hydroxypropyl)-5-methyl-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one;7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one
SMILESCC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(O)C(O)C(O)C3CO)c2o1.Cc1cc(O)c(C2OC(O)C(O)C(O)C2CO)c2oc(CC(C)O)cc(=O)c12
InChIInChI=1S/C19H24O9.C19H22O9/c2*1-7-3-11(22)14(17-10(6-20)15(24)16(25)19(26)28-17)18-13(7)12(23)5-9(27-18)4-8(2)21/h3,5,8,10,15-17,19-22,24-26H,4,6H2,1-2H3;3,5,10,15-17,19-20,22,24-26H,4,6H2,1-2H3
InChIKeyHYFPKHMEXUODIS-UHFFFAOYSA-N
XLogP-0.89
TPSA318.48 Ų
H-Bond Donors11
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500790.77
LogP ≤ 5-0.89
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1018

Analyze 7-hydroxy-2-(2-hydroxypropyl)-5-methyl-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one;7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(2-hydroxypropyl)-5-methyl-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one;7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one?
The IUPAC name of 7-hydroxy-2-(2-hydroxypropyl)-5-methyl-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one;7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one (CID 158622930) is 7-hydroxy-2-(2-hydroxypropyl)-5-methyl-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one;7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one.
What is the SMILES notation for 7-hydroxy-2-(2-hydroxypropyl)-5-methyl-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one;7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one?
The canonical SMILES for 7-hydroxy-2-(2-hydroxypropyl)-5-methyl-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one;7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one is CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(O)C(O)C(O)C3CO)c2o1.Cc1cc(O)c(C2OC(O)C(O)C(O)C2CO)c2oc(CC(C)O)cc(=O)c12.
What is the InChIKey of 7-hydroxy-2-(2-hydroxypropyl)-5-methyl-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one;7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one?
The InChIKey is HYFPKHMEXUODIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O9.C19H22O9/c2*1-7-3-11(22)14(17-10(6-20)15(24)16(25)19(26)28-17)18-13(7)12(23)5-9(27-18)4-8(2)21/h3,5,8,10,15-17,19-22,24-26H,4,6H2,1-2H3;3,5,10,15-17,19-20,22,24-26H,4,6H2,1-2H3.
What are the key properties of 7-hydroxy-2-(2-hydroxypropyl)-5-methyl-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one;7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one?
7-hydroxy-2-(2-hydroxypropyl)-5-methyl-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one;7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one has a molecular weight of 790.77 g/mol, XLogP of -0.89, 8 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(2-hydroxypropyl)-5-methyl-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one;7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one is sourced from PubChem (CID 158622930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).