(+)-Dihydromyricetin

C15H12O8 — CID 161557

IUPAC(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESC1=C(C=C(C(=C1O)O)O)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O
InChIInChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1
InChIKeyKJXSIXMJHKAJOD-LSDHHAIUSA-N
MW320.25 g/mol
LogP1.10
Rot. Bonds1

About (+)-Dihydromyricetin

(+)-Dihydromyricetin (PubChem CID 161557) has the molecular formula C15H12O8 and a molecular weight of 320.25 g/mol. Its IUPAC name is (2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(+)-Dihydromyricetin
PubChem CID161557
Molecular FormulaC15H12O8
Molecular Weight320.25 g/mol
Exact Mass320.05
IUPAC Name(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESC1=C(C=C(C(=C1O)O)O)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O
InChIInChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1
InChIKeyKJXSIXMJHKAJOD-LSDHHAIUSA-N
XLogP1.10
TPSA148.00 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms23
Complexity445

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.25
LogP ≤ 51.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

Quercetin
CID 5280343
Genistein
CID 5280961
Taxifolin
CID 439533
Isoquercetin
CID 5280804
Rutin
CID 5280805
Myricetin
CID 5281672
Apigenin
CID 5280443
Diosmetin
CID 5281612
Catechin
CID 9064
Silibinin
CID 31553
Epigallocatechin Gallate
CID 65064
Epicatechin
CID 72276

Frequently Asked Questions

What is the IUPAC name of (+)-Dihydromyricetin?
The IUPAC name of (+)-Dihydromyricetin (CID 161557) is (2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for (+)-Dihydromyricetin?
The canonical SMILES for (+)-Dihydromyricetin is C1=C(C=C(C(=C1O)O)O)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O.
What is the InChIKey of (+)-Dihydromyricetin?
The InChIKey is KJXSIXMJHKAJOD-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1.
What are the key properties of (+)-Dihydromyricetin?
(+)-Dihydromyricetin has a molecular weight of 320.25 g/mol, XLogP of 1.10, 1 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (+)-Dihydromyricetin is sourced from PubChem (CID 161557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).