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

C20H18O6 — CID 163070313

IUPAC(7S,8S)-5,7-dihydroxy-8-(4-hydroxyphenyl)-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)cc2)O3)O1
InChIInChI=1S/C20H18O6/c1-20(2)8-7-12-13(26-20)9-14-15(16(12)22)17(23)18(24)19(25-14)10-3-5-11(21)6-4-10/h3-9,18-19,21-22,24H,1-2H3/t18-,19+/m1/s1
InChIKeyVUCDJMGYWZLBKX-MOPGFXCFSA-N
MW354.36 g/mol
LogP2.96
Rot. Bonds1

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

(7S,8S)-5,7-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one (PubChem CID 163070313) has the molecular formula C20H18O6 and a molecular weight of 354.36 g/mol. Its IUPAC name is (7S,8S)-5,7-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one.

Molecular Properties

Compound Name(7S,8S)-5,7-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
PubChem CID163070313
Molecular FormulaC20H18O6
Molecular Weight354.36 g/mol
Exact Mass354.11
IUPAC Name(7S,8S)-5,7-dihydroxy-8-(4-hydroxyphenyl)-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)cc2)O3)O1
InChIInChI=1S/C20H18O6/c1-20(2)8-7-12-13(26-20)9-14-15(16(12)22)17(23)18(24)19(25-14)10-3-5-11(21)6-4-10/h3-9,18-19,21-22,24H,1-2H3/t18-,19+/m1/s1
InChIKeyVUCDJMGYWZLBKX-MOPGFXCFSA-N
XLogP2.96
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(7R,8R)-8-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 71473387
(7R,8S)-5-hydroxy-8-(2-hydroxyphenyl)-7-methoxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 163019968
(2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 132988935
(7R,8R)-5,7-dihydroxy-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromene-10-carbaldehyde
CID 54763532
3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 14794882
2,2,8,8-tetramethylpyrano[3,2-g]chromen-5-ol
CID 86035847
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-[(1R)-1-(4-hydroxyphenyl)ethyl]-7-methoxy-2,3-dihydrochromen-4-one
CID 162946913
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
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 14540008
(2S,3S)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 154496184
(2R,3R)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 10403456
(2R,3R)-3-hydroxy-2-(4-hydroxyphenyl)-5,6,7-trimethoxy-2,3-dihydrochromen-4-one
CID 44575071

Frequently Asked Questions

What is the IUPAC name of (7S,8S)-5,7-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one?
The IUPAC name of (7S,8S)-5,7-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one (CID 163070313) is (7S,8S)-5,7-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one.
What is the SMILES notation for (7S,8S)-5,7-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one?
The canonical SMILES for (7S,8S)-5,7-dihydroxy-8-(4-hydroxyphenyl)-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)cc2)O3)O1.
What is the InChIKey of (7S,8S)-5,7-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one?
The InChIKey is VUCDJMGYWZLBKX-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H18O6/c1-20(2)8-7-12-13(26-20)9-14-15(16(12)22)17(23)18(24)19(25-14)10-3-5-11(21)6-4-10/h3-9,18-19,21-22,24H,1-2H3/t18-,19+/m1/s1.
What are the key properties of (7S,8S)-5,7-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one?
(7S,8S)-5,7-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one has a molecular weight of 354.36 g/mol, XLogP of 2.96, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8S)-5,7-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one is sourced from PubChem (CID 163070313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).