5,7-dihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one

C29H27NO8 — CID 97424683

IUPAC5,7-dihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one
SMILESCOc1cc([C@@H](CC(=O)N2CCOCC2)c2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)ccc1O
InChIInChI=1S/C29H27NO8/c1-36-25-13-18(7-8-20(25)31)19(14-26(35)30-9-11-37-12-10-30)27-21(32)15-22(33)28-23(34)16-24(38-29(27)28)17-5-3-2-4-6-17/h2-8,13,15-16,19,31-33H,9-12,14H2,1H3/t19-/m1/s1
InChIKeyGVWSWOAJVOGUMJ-LJQANCHMSA-N
MW517.53 g/mol
LogP3.97
Rot. Bonds6

About 5,7-dihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one

5,7-dihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one (PubChem CID 97424683) has the molecular formula C29H27NO8 and a molecular weight of 517.53 g/mol. Its IUPAC name is 5,7-dihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one
PubChem CID97424683
Molecular FormulaC29H27NO8
Molecular Weight517.53 g/mol
Exact Mass517.17
IUPAC Name5,7-dihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one
SMILESCOc1cc([C@@H](CC(=O)N2CCOCC2)c2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)ccc1O
InChIInChI=1S/C29H27NO8/c1-36-25-13-18(7-8-20(25)31)19(14-26(35)30-9-11-37-12-10-30)27-21(32)15-22(33)28-23(34)16-24(38-29(27)28)17-5-3-2-4-6-17/h2-8,13,15-16,19,31-33H,9-12,14H2,1H3/t19-/m1/s1
InChIKeyGVWSWOAJVOGUMJ-LJQANCHMSA-N
XLogP3.97
TPSA129.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.53
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5,7-dihydroxy-8-(3-morpholin-4-yl-3-oxo-1-phenylpropyl)-2-phenylchromen-4-one
CID 71827102
8-[1-(3,4-dimethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-5,7-dihydroxy-2-phenylchromen-4-one
CID 110206872
5,7-dihydroxy-8-[1-(7-methoxy-1,3-benzodioxol-5-yl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one
CID 71826677
5,6,7-trihydroxy-8-[1-(3-hydroxy-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one
CID 91637298
8-[(1R)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-5,6,7-trihydroxy-2-phenylchromen-4-one
CID 99992509
methyl (3S)-3-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 97425633
2-[4-[(1R)-1-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-oxo-3-piperidin-1-ylpropyl]-2-methoxyphenoxy]acetic acid
CID 124879295
5,7-dihydroxy-8-[(1R)-3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl]-2-phenylchromen-4-one
CID 97424403
5,7-dihydroxy-8-[(1R)-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one
CID 124879512
5,6,7-trihydroxy-8-[(1R)-1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one
CID 99996288
methyl (3S)-3-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 97424497
3-[1-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one
CID 71827278

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one (CID 97424683) is 5,7-dihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one is COc1cc([C@@H](CC(=O)N2CCOCC2)c2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)ccc1O.
What is the InChIKey of 5,7-dihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one?
The InChIKey is GVWSWOAJVOGUMJ-LJQANCHMSA-N. The full InChI is InChI=1S/C29H27NO8/c1-36-25-13-18(7-8-20(25)31)19(14-26(35)30-9-11-37-12-10-30)27-21(32)15-22(33)28-23(34)16-24(38-29(27)28)17-5-3-2-4-6-17/h2-8,13,15-16,19,31-33H,9-12,14H2,1H3/t19-/m1/s1.
What are the key properties of 5,7-dihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one?
5,7-dihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one has a molecular weight of 517.53 g/mol, XLogP of 3.97, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one is sourced from PubChem (CID 97424683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).