5,7-dihydroxy-8-[(1S)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one

C32H27NO7 — CID 124876619

IUPAC5,7-dihydroxy-8-[(1S)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one
SMILESO=C(C[C@H](c1coc2ccccc2c1=O)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12)N1CCCCC1
InChIInChI=1S/C32H27NO7/c34-23-16-24(35)30-25(36)17-27(19-9-3-1-4-10-19)40-32(30)29(23)21(15-28(37)33-13-7-2-8-14-33)22-18-39-26-12-6-5-11-20(26)31(22)38/h1,3-6,9-12,16-18,21,34-35H,2,7-8,13-15H2/t21-/m1/s1
InChIKeyGKJCDGRWGHCELM-OAQYLSRUSA-N
MW537.57 g/mol
LogP5.51
Rot. Bonds5

About 5,7-dihydroxy-8-[(1S)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one

5,7-dihydroxy-8-[(1S)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one (PubChem CID 124876619) has the molecular formula C32H27NO7 and a molecular weight of 537.57 g/mol. Its IUPAC name is 5,7-dihydroxy-8-[(1S)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-8-[(1S)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one
PubChem CID124876619
Molecular FormulaC32H27NO7
Molecular Weight537.57 g/mol
Exact Mass537.18
IUPAC Name5,7-dihydroxy-8-[(1S)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one
SMILESO=C(C[C@H](c1coc2ccccc2c1=O)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12)N1CCCCC1
InChIInChI=1S/C32H27NO7/c34-23-16-24(35)30-25(36)17-27(19-9-3-1-4-10-19)40-32(30)29(23)21(15-28(37)33-13-7-2-8-14-33)22-18-39-26-12-6-5-11-20(26)31(22)38/h1,3-6,9-12,16-18,21,34-35H,2,7-8,13-15H2/t21-/m1/s1
InChIKeyGKJCDGRWGHCELM-OAQYLSRUSA-N
XLogP5.51
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.57
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5,7-dihydroxy-8-[(1R)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one
CID 124876617
5,7-dihydroxy-8-[3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one
CID 110207339
5,7-dihydroxy-8-[1-(6-methoxy-4-oxochromen-3-yl)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-phenylchromen-4-one
CID 71827191
5,7-dihydroxy-8-[(1R)-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one
CID 124879512
8-[(1R)-1-(2,4-dimethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-5,7-dihydroxy-2-phenylchromen-4-one
CID 124879250
4-[5-[(1R)-1-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-oxo-3-piperidin-1-ylpropyl]furan-2-yl]benzoic acid
CID 124875895
5,7-dihydroxy-8-[(1R)-3-oxo-3-piperidin-1-yl-1-pyridin-3-ylpropyl]-2-phenylchromen-4-one
CID 124878318
8-[1-(3,4-dimethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-5,7-dihydroxy-2-phenylchromen-4-one
CID 110206872
5,7-dihydroxy-8-(3-morpholin-4-yl-3-oxo-1-phenylpropyl)-2-phenylchromen-4-one
CID 71827102
3-[(1S)-1-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-oxo-3-piperidin-1-ylpropyl]-6-methoxy-1H-quinolin-2-one
CID 124917729
3-[(1S)-1-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-oxo-3-piperidin-1-ylpropyl]-7-methoxy-1H-quinolin-2-one
CID 124917759
5,6,7-trihydroxy-8-[(1R)-1-(6-methoxy-4-oxochromen-3-yl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one
CID 99987389

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-8-[(1S)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-8-[(1S)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one (CID 124876619) is 5,7-dihydroxy-8-[(1S)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-8-[(1S)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-8-[(1S)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one is O=C(C[C@H](c1coc2ccccc2c1=O)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12)N1CCCCC1.
What is the InChIKey of 5,7-dihydroxy-8-[(1S)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one?
The InChIKey is GKJCDGRWGHCELM-OAQYLSRUSA-N. The full InChI is InChI=1S/C32H27NO7/c34-23-16-24(35)30-25(36)17-27(19-9-3-1-4-10-19)40-32(30)29(23)21(15-28(37)33-13-7-2-8-14-33)22-18-39-26-12-6-5-11-20(26)31(22)38/h1,3-6,9-12,16-18,21,34-35H,2,7-8,13-15H2/t21-/m1/s1.
What are the key properties of 5,7-dihydroxy-8-[(1S)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one?
5,7-dihydroxy-8-[(1S)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one has a molecular weight of 537.57 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-8-[(1S)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one is sourced from PubChem (CID 124876619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).