4-methoxy-7-methyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8-dihydrofuro[2,3-g]isochromen-5-one

C19H22O10 — CID 169082798

IUPAC4-methoxy-7-methyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8-dihydrofuro[2,3-g]isochromen-5-one
SMILESCOc1c2c(cc3occc13)C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)OC2=O
InChIInChI=1S/C19H22O10/c1-7-16(29-19-15(23)14(22)13(21)11(6-20)28-19)9-5-10-8(3-4-26-10)17(25-2)12(9)18(24)27-7/h3-5,7,11,13-16,19-23H,6H2,1-2H3/t7?,11-,13-,14+,15-,16?,19+/m1/s1
InChIKeyQDRCGKFHEIMACL-YIVNPQNNSA-N
MW410.38 g/mol
LogP-0.14
Rot. Bonds4

About 4-methoxy-7-methyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8-dihydrofuro[2,3-g]isochromen-5-one

4-methoxy-7-methyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8-dihydrofuro[2,3-g]isochromen-5-one (PubChem CID 169082798) has the molecular formula C19H22O10 and a molecular weight of 410.38 g/mol. Its IUPAC name is 4-methoxy-7-methyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8-dihydrofuro[2,3-g]isochromen-5-one.

Molecular Properties

Compound Name4-methoxy-7-methyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8-dihydrofuro[2,3-g]isochromen-5-one
PubChem CID169082798
Molecular FormulaC19H22O10
Molecular Weight410.38 g/mol
Exact Mass410.12
IUPAC Name4-methoxy-7-methyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8-dihydrofuro[2,3-g]isochromen-5-one
SMILESCOc1c2c(cc3occc13)C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)OC2=O
InChIInChI=1S/C19H22O10/c1-7-16(29-19-15(23)14(22)13(21)11(6-20)28-19)9-5-10-8(3-4-26-10)17(25-2)12(9)18(24)27-7/h3-5,7,11,13-16,19-23H,6H2,1-2H3/t7?,11-,13-,14+,15-,16?,19+/m1/s1
InChIKeyQDRCGKFHEIMACL-YIVNPQNNSA-N
XLogP-0.14
TPSA148.05 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 4-methoxy-7-methyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8-dihydrofuro[2,3-g]isochromen-5-one with MolForge

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Related Compounds

(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
CID 11634368
4-[(2S)-2-hydroxy-3-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]furo[3,2-g]chromen-7-one
CID 162932863
[1-(4-methoxy-7-oxofuro[3,2-g]chromen-6-yl)-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutan-2-yl] acetate
CID 53260923
4-hydroxy-7,8-dimethoxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one
CID 66840946
(2R,3R)-2,5,8-trihydroxy-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
CID 162861221
(2S)-3-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-furan-5-one
CID 10085697
7-methyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furo[3,2-g]chromen-5-one
CID 102120190
(2S,3R)-2,3,5-trimethyl-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-6-one
CID 58877522
2,3,5-trimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-6-one
CID 58877528
1,4-dihydroxy-2-methoxy-3-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
CID 73157249
(2S,3R)-7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
CID 162932801
(2S,3R)-7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
CID 162932800

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-methyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8-dihydrofuro[2,3-g]isochromen-5-one?
The IUPAC name of 4-methoxy-7-methyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8-dihydrofuro[2,3-g]isochromen-5-one (CID 169082798) is 4-methoxy-7-methyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8-dihydrofuro[2,3-g]isochromen-5-one.
What is the SMILES notation for 4-methoxy-7-methyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8-dihydrofuro[2,3-g]isochromen-5-one?
The canonical SMILES for 4-methoxy-7-methyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8-dihydrofuro[2,3-g]isochromen-5-one is COc1c2c(cc3occc13)C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)OC2=O.
What is the InChIKey of 4-methoxy-7-methyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8-dihydrofuro[2,3-g]isochromen-5-one?
The InChIKey is QDRCGKFHEIMACL-YIVNPQNNSA-N. The full InChI is InChI=1S/C19H22O10/c1-7-16(29-19-15(23)14(22)13(21)11(6-20)28-19)9-5-10-8(3-4-26-10)17(25-2)12(9)18(24)27-7/h3-5,7,11,13-16,19-23H,6H2,1-2H3/t7?,11-,13-,14+,15-,16?,19+/m1/s1.
What are the key properties of 4-methoxy-7-methyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8-dihydrofuro[2,3-g]isochromen-5-one?
4-methoxy-7-methyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8-dihydrofuro[2,3-g]isochromen-5-one has a molecular weight of 410.38 g/mol, XLogP of -0.14, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-methyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8-dihydrofuro[2,3-g]isochromen-5-one is sourced from PubChem (CID 169082798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).