5,6,7-trihydroxy-8-[(1R)-1-(6-methoxy-4-oxochromen-3-yl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one

C32H27NO10 — CID 99987389

IUPAC5,6,7-trihydroxy-8-[(1R)-1-(6-methoxy-4-oxochromen-3-yl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one
SMILESCOc1ccc2occ([C@H](CC(=O)N3CCOCC3)c3c(O)c(O)c(O)c4c(=O)cc(-c5ccccc5)oc34)c(=O)c2c1
InChIInChI=1S/C32H27NO10/c1-40-18-7-8-23-20(13-18)28(36)21(16-42-23)19(14-25(35)33-9-11-41-12-10-33)26-29(37)31(39)30(38)27-22(34)15-24(43-32(26)27)17-5-3-2-4-6-17/h2-8,13,15-16,19,37-39H,9-12,14H2,1H3/t19-/m0/s1
InChIKeyUYLICFCSAFGTFJ-IBGZPJMESA-N
MW585.57 g/mol
LogP4.07
Rot. Bonds6

About 5,6,7-trihydroxy-8-[(1R)-1-(6-methoxy-4-oxochromen-3-yl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one

5,6,7-trihydroxy-8-[(1R)-1-(6-methoxy-4-oxochromen-3-yl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one (PubChem CID 99987389) has the molecular formula C32H27NO10 and a molecular weight of 585.57 g/mol. Its IUPAC name is 5,6,7-trihydroxy-8-[(1R)-1-(6-methoxy-4-oxochromen-3-yl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one.

Molecular Properties

Compound Name5,6,7-trihydroxy-8-[(1R)-1-(6-methoxy-4-oxochromen-3-yl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one
PubChem CID99987389
Molecular FormulaC32H27NO10
Molecular Weight585.57 g/mol
Exact Mass585.16
IUPAC Name5,6,7-trihydroxy-8-[(1R)-1-(6-methoxy-4-oxochromen-3-yl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one
SMILESCOc1ccc2occ([C@H](CC(=O)N3CCOCC3)c3c(O)c(O)c(O)c4c(=O)cc(-c5ccccc5)oc34)c(=O)c2c1
InChIInChI=1S/C32H27NO10/c1-40-18-7-8-23-20(13-18)28(36)21(16-42-23)19(14-25(35)33-9-11-41-12-10-33)26-29(37)31(39)30(38)27-22(34)15-24(43-32(26)27)17-5-3-2-4-6-17/h2-8,13,15-16,19,37-39H,9-12,14H2,1H3/t19-/m0/s1
InChIKeyUYLICFCSAFGTFJ-IBGZPJMESA-N
XLogP4.07
TPSA159.88 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.57
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5,7-dihydroxy-8-[1-(6-methoxy-4-oxochromen-3-yl)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-phenylchromen-4-one
CID 71827191
5,6,7-trihydroxy-8-[(1R)-1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one
CID 99996288
8-[(1R)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-5,6,7-trihydroxy-2-phenylchromen-4-one
CID 99992509
5,6,7-trihydroxy-8-[1-(3-hydroxy-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one
CID 91637298
3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-6-methoxychromen-4-one
CID 97488074
5,6,7-trihydroxy-8-[(1R)-1-(4-hydroxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one
CID 99983743
5,7-dihydroxy-8-[(1S)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one
CID 124876619
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-[(1R)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one
CID 124876617
8-[(1S)-1-(2H-chromen-3-yl)-3-morpholin-4-yl-3-oxopropyl]-5,6,7-trihydroxy-2-phenylchromen-4-one
CID 99987621
8-[(1R)-1-(2,4-dimethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-5,7-dihydroxy-2-phenylchromen-4-one
CID 124879250
5,7-dihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one
CID 97424683

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trihydroxy-8-[(1R)-1-(6-methoxy-4-oxochromen-3-yl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one?
The IUPAC name of 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) is 5,6,7-trihydroxy-8-[(1R)-1-(6-methoxy-4-oxochromen-3-yl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one.
What is the SMILES notation for 5,6,7-trihydroxy-8-[(1R)-1-(6-methoxy-4-oxochromen-3-yl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one?
The canonical SMILES for 5,6,7-trihydroxy-8-[(1R)-1-(6-methoxy-4-oxochromen-3-yl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one is COc1ccc2occ([C@H](CC(=O)N3CCOCC3)c3c(O)c(O)c(O)c4c(=O)cc(-c5ccccc5)oc34)c(=O)c2c1.
What is the InChIKey of 5,6,7-trihydroxy-8-[(1R)-1-(6-methoxy-4-oxochromen-3-yl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one?
The InChIKey is UYLICFCSAFGTFJ-IBGZPJMESA-N. The full InChI is InChI=1S/C32H27NO10/c1-40-18-7-8-23-20(13-18)28(36)21(16-42-23)19(14-25(35)33-9-11-41-12-10-33)26-29(37)31(39)30(38)27-22(34)15-24(43-32(26)27)17-5-3-2-4-6-17/h2-8,13,15-16,19,37-39H,9-12,14H2,1H3/t19-/m0/s1.
What are the key properties of 5,6,7-trihydroxy-8-[(1R)-1-(6-methoxy-4-oxochromen-3-yl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one?
5,6,7-trihydroxy-8-[(1R)-1-(6-methoxy-4-oxochromen-3-yl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one has a molecular weight of 585.57 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trihydroxy-8-[(1R)-1-(6-methoxy-4-oxochromen-3-yl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one is sourced from PubChem (CID 99987389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).