Daidzein 7-Sulfate Potassium Salt

C15H10KO7S — CID 169436996

IUPAC—
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(OS(=O)(=O)O)ccc12.[K]
InChIInChI=1S/C15H10O7S.K/c16-10-3-1-9(2-4-10)13-8-21-14-7-11(22-23(18,19)20)5-6-12(14)15(13)17;/h1-8,16H,(H,18,19,20);
InChIKeyKFWINVRUHICRGE-UHFFFAOYSA-N
MW373.40 g/mol
LogP1.97
Rot. Bonds3

About Daidzein 7-Sulfate Potassium Salt

Daidzein 7-Sulfate Potassium Salt (PubChem CID 169436996) has the molecular formula C15H10KO7S and a molecular weight of 373.40 g/mol.

Molecular Properties

Compound NameDaidzein 7-Sulfate Potassium Salt
PubChem CID169436996
Molecular FormulaC15H10KO7S
Molecular Weight373.40 g/mol
Exact Mass372.98
IUPAC Name—
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(OS(=O)(=O)O)ccc12.[K]
InChIInChI=1S/C15H10O7S.K/c16-10-3-1-9(2-4-10)13-8-21-14-7-11(22-23(18,19)20)5-6-12(14)15(13)17;/h1-8,16H,(H,18,19,20);
InChIKeyKFWINVRUHICRGE-UHFFFAOYSA-N
XLogP1.97
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze Daidzein 7-Sulfate Potassium Salt 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

3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;[3-(4-hydroxyphenyl)-4-oxochromen-7-yl] 2-chloroacetate
CID 158879898
(2S,3S,4R,5R,6S)-4,5-dihydroxy-6-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3-sulfooxyoxane-2-carboxylic acid
CID 87127366
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-oxo-3-(4-sulfooxyphenyl)chromen-7-yl]oxyoxane-2-carboxylic acid
CID 162817898
[3-(4-hydroxyphenyl)-4-oxochromen-7-yl] 2-(diethylamino)acetate;hydrochloride
CID 71572195
7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-(4-hydroxyphenyl)chromen-4-one
CID 163149230
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one
CID 10925737
7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one
CID 59021643
(4-oxochromen-7-yl) hydrogen sulfate
CID 141201790
7-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-3-(4-hydroxyphenyl)chromen-4-one
CID 163137067
3-(4-acetylphenyl)-7-hydroxychromen-4-one
CID 71506237

Frequently Asked Questions

What is the IUPAC name of Daidzein 7-Sulfate Potassium Salt?
The IUPAC name of Daidzein 7-Sulfate Potassium Salt (CID 169436996) is not available.
What is the SMILES notation for Daidzein 7-Sulfate Potassium Salt?
The canonical SMILES for Daidzein 7-Sulfate Potassium Salt is O=c1c(-c2ccc(O)cc2)coc2cc(OS(=O)(=O)O)ccc12.[K].
What is the InChIKey of Daidzein 7-Sulfate Potassium Salt?
The InChIKey is KFWINVRUHICRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O7S.K/c16-10-3-1-9(2-4-10)13-8-21-14-7-11(22-23(18,19)20)5-6-12(14)15(13)17;/h1-8,16H,(H,18,19,20);.
What are the key properties of Daidzein 7-Sulfate Potassium Salt?
Daidzein 7-Sulfate Potassium Salt has a molecular weight of 373.40 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Daidzein 7-Sulfate Potassium Salt is sourced from PubChem (CID 169436996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).