(7R,8R)-8-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one

C20H18O7 — CID 71473387

IUPAC(7R,8R)-8-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
SMILESCC1(C)C=Cc2c(cc3c(c2O)C(=O)[C@H](O)[C@@H](c2ccc(O)cc2O)O3)O1
InChIInChI=1S/C20H18O7/c1-20(2)6-5-11-13(27-20)8-14-15(16(11)23)17(24)18(25)19(26-14)10-4-3-9(21)7-12(10)22/h3-8,18-19,21-23,25H,1-2H3/t18-,19+/m0/s1
InChIKeySQEVPBLXSXPBPD-RBUKOAKNSA-N
MW370.36 g/mol
LogP2.66
Rot. Bonds1

About (7R,8R)-8-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one

(7R,8R)-8-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one (PubChem CID 71473387) has the molecular formula C20H18O7 and a molecular weight of 370.36 g/mol. Its IUPAC name is (7R,8R)-8-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one.

Molecular Properties

Compound Name(7R,8R)-8-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
PubChem CID71473387
Molecular FormulaC20H18O7
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Name(7R,8R)-8-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
SMILESCC1(C)C=Cc2c(cc3c(c2O)C(=O)[C@H](O)[C@@H](c2ccc(O)cc2O)O3)O1
InChIInChI=1S/C20H18O7/c1-20(2)6-5-11-13(27-20)8-14-15(16(11)23)17(24)18(25)19(26-14)10-4-3-9(21)7-12(10)22/h3-8,18-19,21-23,25H,1-2H3/t18-,19+/m0/s1
InChIKeySQEVPBLXSXPBPD-RBUKOAKNSA-N
XLogP2.66
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(7S,8S)-5,7-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 163070313
(7R,8S)-5-hydroxy-8-(2-hydroxyphenyl)-7-methoxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 163019968
(2S,3S)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-[(E)-3-methylbut-1-enyl]-2,3-dihydrochromen-4-one
CID 163067764
(2R,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 71473351
2,2,8,8-tetramethylpyrano[3,2-g]chromen-5-ol
CID 86035847
(2S,3R)-2-[5-[(1R,5S,6R)-5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethylchromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl]-3,7-dihydroxy-2,3-dihydrochromen-4-one
CID 163195108
5-hydroxy-2,2-dimethyl-8H-furo[3,4-g]chromen-6-one
CID 636462
(2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 132988935
(7S)-7-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 163044002
(7R)-7-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 163044003
2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
CID 71307292
3-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 11964495

Frequently Asked Questions

What is the IUPAC name of (7R,8R)-8-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one?
The IUPAC name of (7R,8R)-8-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one (CID 71473387) is (7R,8R)-8-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one.
What is the SMILES notation for (7R,8R)-8-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one?
The canonical SMILES for (7R,8R)-8-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one is CC1(C)C=Cc2c(cc3c(c2O)C(=O)[C@H](O)[C@@H](c2ccc(O)cc2O)O3)O1.
What is the InChIKey of (7R,8R)-8-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one?
The InChIKey is SQEVPBLXSXPBPD-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H18O7/c1-20(2)6-5-11-13(27-20)8-14-15(16(11)23)17(24)18(25)19(26-14)10-4-3-9(21)7-12(10)22/h3-8,18-19,21-23,25H,1-2H3/t18-,19+/m0/s1.
What are the key properties of (7R,8R)-8-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one?
(7R,8R)-8-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one has a molecular weight of 370.36 g/mol, XLogP of 2.66, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-8-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one is sourced from PubChem (CID 71473387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).