(7R,8R)-5,7-dihydroxy-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromene-10-carbaldehyde

C21H18O6 — CID 54763532

IUPAC(7R,8R)-5,7-dihydroxy-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromene-10-carbaldehyde
SMILESCC1(C)C=Cc2c(O)c3c(c(C=O)c2O1)O[C@H](c1ccccc1)[C@@H](O)C3=O
InChIInChI=1S/C21H18O6/c1-21(2)9-8-12-15(23)14-16(24)17(25)18(11-6-4-3-5-7-11)26-20(14)13(10-22)19(12)27-21/h3-10,17-18,23,25H,1-2H3/t17-,18+/m0/s1
InChIKeyAAJFCQJUBNHXEM-ZWKOTPCHSA-N
MW366.37 g/mol
LogP3.07
Rot. Bonds2

About (7R,8R)-5,7-dihydroxy-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromene-10-carbaldehyde

(7R,8R)-5,7-dihydroxy-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromene-10-carbaldehyde (PubChem CID 54763532) has the molecular formula C21H18O6 and a molecular weight of 366.37 g/mol. Its IUPAC name is (7R,8R)-5,7-dihydroxy-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromene-10-carbaldehyde.

Molecular Properties

Compound Name(7R,8R)-5,7-dihydroxy-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromene-10-carbaldehyde
PubChem CID54763532
Molecular FormulaC21H18O6
Molecular Weight366.37 g/mol
Exact Mass366.11
IUPAC Name(7R,8R)-5,7-dihydroxy-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromene-10-carbaldehyde
SMILESCC1(C)C=Cc2c(O)c3c(c(C=O)c2O1)O[C@H](c1ccccc1)[C@@H](O)C3=O
InChIInChI=1S/C21H18O6/c1-21(2)9-8-12-15(23)14-16(24)17(25)18(11-6-4-3-5-7-11)26-20(14)13(10-22)19(12)27-21/h3-10,17-18,23,25H,1-2H3/t17-,18+/m0/s1
InChIKeyAAJFCQJUBNHXEM-ZWKOTPCHSA-N
XLogP3.07
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 132988935
(7S,8S)-5,7-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 163070313
7-hydroxy-8-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 10646583
[(7R,8R)-5-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-7-yl] (2R)-2-methoxy-2-phenylacetate
CID 54763578
(2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 102434194
5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 42607884
3-(5-hydroxy-2,3,8,8-tetramethyl-4-oxo-2,3-dihydropyrano[2,3-h]chromen-6-yl)-3-phenylprop-2-enoic acid
CID 54322117
(7R,8R)-8-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 71473387
(2S,3R)-3,5,7-trihydroxy-8-methoxy-6-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 163015493
1-(5,8-dihydroxy-2,2-dimethylchromen-6-yl)-3-phenylprop-2-en-1-one
CID 85402242
(7R,8R)-7-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 162821291
(7S)-5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 163052383

Frequently Asked Questions

What is the IUPAC name of (7R,8R)-5,7-dihydroxy-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromene-10-carbaldehyde?
The IUPAC name of (7R,8R)-5,7-dihydroxy-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromene-10-carbaldehyde (CID 54763532) is (7R,8R)-5,7-dihydroxy-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromene-10-carbaldehyde.
What is the SMILES notation for (7R,8R)-5,7-dihydroxy-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromene-10-carbaldehyde?
The canonical SMILES for (7R,8R)-5,7-dihydroxy-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromene-10-carbaldehyde is CC1(C)C=Cc2c(O)c3c(c(C=O)c2O1)O[C@H](c1ccccc1)[C@@H](O)C3=O.
What is the InChIKey of (7R,8R)-5,7-dihydroxy-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromene-10-carbaldehyde?
The InChIKey is AAJFCQJUBNHXEM-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H18O6/c1-21(2)9-8-12-15(23)14-16(24)17(25)18(11-6-4-3-5-7-11)26-20(14)13(10-22)19(12)27-21/h3-10,17-18,23,25H,1-2H3/t17-,18+/m0/s1.
What are the key properties of (7R,8R)-5,7-dihydroxy-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromene-10-carbaldehyde?
(7R,8R)-5,7-dihydroxy-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromene-10-carbaldehyde has a molecular weight of 366.37 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-5,7-dihydroxy-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromene-10-carbaldehyde is sourced from PubChem (CID 54763532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).