(2R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one

C26H24O10 — CID 121263992

IUPAC(2R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
SMILESCOC[C@H]1Oc2cc([C@H]3Oc4cc(O)cc(O)c4C(=O)C3O)ccc2O[C@@H]1c1ccc(O)c(OC)c1
InChIInChI=1S/C26H24O10/c1-32-11-21-25(12-3-5-15(28)18(7-12)33-2)35-17-6-4-13(8-19(17)34-21)26-24(31)23(30)22-16(29)9-14(27)10-20(22)36-26/h3-10,21,24-29,31H,11H2,1-2H3/t21-,24?,25-,26-/m1/s1
InChIKeyXOORRLWJAHBUFC-DALJCPOSSA-N
MW496.47 g/mol
LogP3.02
Rot. Bonds5

About (2R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one

(2R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one (PubChem CID 121263992) has the molecular formula C26H24O10 and a molecular weight of 496.47 g/mol. Its IUPAC name is (2R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
PubChem CID121263992
Molecular FormulaC26H24O10
Molecular Weight496.47 g/mol
Exact Mass496.14
IUPAC Name(2R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
SMILESCOC[C@H]1Oc2cc([C@H]3Oc4cc(O)cc(O)c4C(=O)C3O)ccc2O[C@@H]1c1ccc(O)c(OC)c1
InChIInChI=1S/C26H24O10/c1-32-11-21-25(12-3-5-15(28)18(7-12)33-2)35-17-6-4-13(8-19(17)34-21)26-24(31)23(30)22-16(29)9-14(27)10-20(22)36-26/h3-10,21,24-29,31H,11H2,1-2H3/t21-,24?,25-,26-/m1/s1
InChIKeyXOORRLWJAHBUFC-DALJCPOSSA-N
XLogP3.02
TPSA144.14 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.47
LogP ≤ 53.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (2R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one?
The IUPAC name of (2R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one (CID 121263992) is (2R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one is COC[C@H]1Oc2cc([C@H]3Oc4cc(O)cc(O)c4C(=O)C3O)ccc2O[C@@H]1c1ccc(O)c(OC)c1.
What is the InChIKey of (2R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one?
The InChIKey is XOORRLWJAHBUFC-DALJCPOSSA-N. The full InChI is InChI=1S/C26H24O10/c1-32-11-21-25(12-3-5-15(28)18(7-12)33-2)35-17-6-4-13(8-19(17)34-21)26-24(31)23(30)22-16(29)9-14(27)10-20(22)36-26/h3-10,21,24-29,31H,11H2,1-2H3/t21-,24?,25-,26-/m1/s1.
What are the key properties of (2R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one?
(2R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one has a molecular weight of 496.47 g/mol, XLogP of 3.02, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 121263992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).