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

C19H22O9 — CID 59758270

IUPAC7-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
InChIInChI=1S/C19H22O9/c1-7-3-11(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/h3,5,10,15-17,19-20,22,24-26H,4,6H2,1-2H3
InChIKeyBVLNYIFRLVWLFI-UHFFFAOYSA-N
MW394.38 g/mol
LogP-0.34
Rot. Bonds4

About 7-hydroxy-5-methyl-2-(2-oxopropyl)-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 59758270) has the molecular formula C19H22O9 and a molecular weight of 394.38 g/mol. Its IUPAC name is 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-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one
PubChem CID59758270
Molecular FormulaC19H22O9
Molecular Weight394.38 g/mol
Exact Mass394.13
IUPAC Name7-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
InChIInChI=1S/C19H22O9/c1-7-3-11(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/h3,5,10,15-17,19-20,22,24-26H,4,6H2,1-2H3
InChIKeyBVLNYIFRLVWLFI-UHFFFAOYSA-N
XLogP-0.34
TPSA157.66 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 5-0.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 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

Related Compounds

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
7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 163021138
7-hydroxy-8-[5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methyl-2-(2-oxopropyl)chromen-4-one
CID 163080658
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 163002298
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] 3-phenylprop-2-enoate
CID 162956939
[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[5-methyl-4-oxo-2-(2-oxopropyl)-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate
CID 162889563
2-[[4-carboxy-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]butanoyl]amino]pentanedioic acid
CID 88941806
2-[[5-amino-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]-5-oxopentanoyl]amino]pentanediamide;N-(1,5-diamino-1-oxohex-5-en-2-yl)-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]pentanediamide
CID 159154268
8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]-7-hydroxy-5-methyl-4-oxochromene-2-carboxylic acid
CID 101218692
2-[2-[2-[2,4-dihydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-oxoethyl]-6-hydroxy-4-methylphenyl]-7-hydroxy-5-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 74080136
6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-7-hydroxy-2-methyl-5-(2-oxopropyl)chromen-4-one
CID 162936895
2-[3-[4,5-dihydroxy-3-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-methoxyphenyl]-5,7-dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 137333728

Frequently Asked Questions

What is the IUPAC name of 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-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one (CID 59758270) is 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-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one?
The canonical SMILES for 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.
What is the InChIKey of 7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one?
The InChIKey is BVLNYIFRLVWLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O9/c1-7-3-11(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/h3,5,10,15-17,19-20,22,24-26H,4,6H2,1-2H3.
What are the key properties of 7-hydroxy-5-methyl-2-(2-oxopropyl)-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 394.38 g/mol, XLogP of -0.34, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 59758270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).