7-hydroxy-8-(7-hydroxy-4-methoxy-5-methyl-2-oxochromen-8-yl)-4-methoxy-5-methylchromen-2-one

C22H18O8 — CID 5484238

IUPAC7-hydroxy-8-(7-hydroxy-4-methoxy-5-methyl-2-oxochromen-8-yl)-4-methoxy-5-methylchromen-2-one
SMILESCOc1cc(=O)oc2c(-c3c(O)cc(C)c4c(OC)cc(=O)oc34)c(O)cc(C)c12
InChIInChI=1S/C22H18O8/c1-9-5-11(23)19(21-17(9)13(27-3)7-15(25)29-21)20-12(24)6-10(2)18-14(28-4)8-16(26)30-22(18)20/h5-8,23-24H,1-4H3
InChIKeySSGXAFNGBRRLQM-UHFFFAOYSA-N
MW410.38 g/mol
LogP3.61
Rot. Bonds3

About 7-hydroxy-8-(7-hydroxy-4-methoxy-5-methyl-2-oxochromen-8-yl)-4-methoxy-5-methylchromen-2-one

7-hydroxy-8-(7-hydroxy-4-methoxy-5-methyl-2-oxochromen-8-yl)-4-methoxy-5-methylchromen-2-one (PubChem CID 5484238) has the molecular formula C22H18O8 and a molecular weight of 410.38 g/mol. Its IUPAC name is 7-hydroxy-8-(7-hydroxy-4-methoxy-5-methyl-2-oxochromen-8-yl)-4-methoxy-5-methylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-8-(7-hydroxy-4-methoxy-5-methyl-2-oxochromen-8-yl)-4-methoxy-5-methylchromen-2-one
PubChem CID5484238
Molecular FormulaC22H18O8
Molecular Weight410.38 g/mol
Exact Mass410.10
IUPAC Name7-hydroxy-8-(7-hydroxy-4-methoxy-5-methyl-2-oxochromen-8-yl)-4-methoxy-5-methylchromen-2-one
SMILESCOc1cc(=O)oc2c(-c3c(O)cc(C)c4c(OC)cc(=O)oc34)c(O)cc(C)c12
InChIInChI=1S/C22H18O8/c1-9-5-11(23)19(21-17(9)13(27-3)7-15(25)29-21)20-12(24)6-10(2)18-14(28-4)8-16(26)30-22(18)20/h5-8,23-24H,1-4H3
InChIKeySSGXAFNGBRRLQM-UHFFFAOYSA-N
XLogP3.61
TPSA119.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Cannabinol
CID 2543
Glabridin
CID 124052
Atranorin
CID 68066
Glycycoumarin
CID 5317756
5,7-Dihydroxy-4-methylcoumarin
CID 5354284
Serratin
CID 5398649
Demethylsuberosin
CID 5316525
Osthenol
CID 5320318
Robustic Acid
CID 54677407
MS 3 (enzyme inhibitor)
CID 100450
Diffractaic Acid
CID 94870
Lonchocarpic acid
CID 54683839

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-(7-hydroxy-4-methoxy-5-methyl-2-oxochromen-8-yl)-4-methoxy-5-methylchromen-2-one?
The IUPAC name of 7-hydroxy-8-(7-hydroxy-4-methoxy-5-methyl-2-oxochromen-8-yl)-4-methoxy-5-methylchromen-2-one (CID 5484238) is 7-hydroxy-8-(7-hydroxy-4-methoxy-5-methyl-2-oxochromen-8-yl)-4-methoxy-5-methylchromen-2-one.
What is the SMILES notation for 7-hydroxy-8-(7-hydroxy-4-methoxy-5-methyl-2-oxochromen-8-yl)-4-methoxy-5-methylchromen-2-one?
The canonical SMILES for 7-hydroxy-8-(7-hydroxy-4-methoxy-5-methyl-2-oxochromen-8-yl)-4-methoxy-5-methylchromen-2-one is COc1cc(=O)oc2c(-c3c(O)cc(C)c4c(OC)cc(=O)oc34)c(O)cc(C)c12.
What is the InChIKey of 7-hydroxy-8-(7-hydroxy-4-methoxy-5-methyl-2-oxochromen-8-yl)-4-methoxy-5-methylchromen-2-one?
The InChIKey is SSGXAFNGBRRLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O8/c1-9-5-11(23)19(21-17(9)13(27-3)7-15(25)29-21)20-12(24)6-10(2)18-14(28-4)8-16(26)30-22(18)20/h5-8,23-24H,1-4H3.
What are the key properties of 7-hydroxy-8-(7-hydroxy-4-methoxy-5-methyl-2-oxochromen-8-yl)-4-methoxy-5-methylchromen-2-one?
7-hydroxy-8-(7-hydroxy-4-methoxy-5-methyl-2-oxochromen-8-yl)-4-methoxy-5-methylchromen-2-one has a molecular weight of 410.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-(7-hydroxy-4-methoxy-5-methyl-2-oxochromen-8-yl)-4-methoxy-5-methylchromen-2-one is sourced from PubChem (CID 5484238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).