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

C19H22O7 — CID 163080658

IUPAC7-hydroxy-8-[5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methyl-2-(2-oxopropyl)chromen-4-one
SMILESCC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3CCC(O)C(CO)O3)c2o1
InChIInChI=1S/C19H22O7/c1-9-5-13(23)18(15-4-3-12(22)16(8-20)26-15)19-17(9)14(24)7-11(25-19)6-10(2)21/h5,7,12,15-16,20,22-23H,3-4,6,8H2,1-2H3
InChIKeyJLOCEGBYKFJTGE-UHFFFAOYSA-N
MW362.38 g/mol
LogP1.51
Rot. Bonds4

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

7-hydroxy-8-[5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methyl-2-(2-oxopropyl)chromen-4-one (PubChem CID 163080658) has the molecular formula C19H22O7 and a molecular weight of 362.38 g/mol. Its IUPAC name is 7-hydroxy-8-[5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methyl-2-(2-oxopropyl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-8-[5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methyl-2-(2-oxopropyl)chromen-4-one
PubChem CID163080658
Molecular FormulaC19H22O7
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name7-hydroxy-8-[5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methyl-2-(2-oxopropyl)chromen-4-one
SMILESCC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3CCC(O)C(CO)O3)c2o1
InChIInChI=1S/C19H22O7/c1-9-5-13(23)18(15-4-3-12(22)16(8-20)26-15)19-17(9)14(24)7-11(25-19)6-10(2)21/h5,7,12,15-16,20,22-23H,3-4,6,8H2,1-2H3
InChIKeyJLOCEGBYKFJTGE-UHFFFAOYSA-N
XLogP1.51
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 59758270
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
[(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
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
[(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
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
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
7,8-dihydroxy-2-[(2S)-2-hydroxypropyl]-5-methylchromen-4-one
CID 139591650

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-[5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methyl-2-(2-oxopropyl)chromen-4-one?
The IUPAC name of 7-hydroxy-8-[5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methyl-2-(2-oxopropyl)chromen-4-one (CID 163080658) is 7-hydroxy-8-[5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methyl-2-(2-oxopropyl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-8-[5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methyl-2-(2-oxopropyl)chromen-4-one?
The canonical SMILES for 7-hydroxy-8-[5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methyl-2-(2-oxopropyl)chromen-4-one is CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3CCC(O)C(CO)O3)c2o1.
What is the InChIKey of 7-hydroxy-8-[5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methyl-2-(2-oxopropyl)chromen-4-one?
The InChIKey is JLOCEGBYKFJTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O7/c1-9-5-13(23)18(15-4-3-12(22)16(8-20)26-15)19-17(9)14(24)7-11(25-19)6-10(2)21/h5,7,12,15-16,20,22-23H,3-4,6,8H2,1-2H3.
What are the key properties of 7-hydroxy-8-[5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methyl-2-(2-oxopropyl)chromen-4-one?
7-hydroxy-8-[5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methyl-2-(2-oxopropyl)chromen-4-one has a molecular weight of 362.38 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-[5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methyl-2-(2-oxopropyl)chromen-4-one is sourced from PubChem (CID 163080658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).