(2~{R})-7-hydroxy-2-[4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chroman-4-one

CNP0192388.1 · C21H22O9 · View on COCONUT ↗

2D Structure

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Identifiers

IUPAC Name	(2~{R})-7-hydroxy-2-[4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chroman-4-one
COCONUT ID	CNP0192388.1
InChIKey	DEMKZLAVQYISIA-ONJCETCRSA-N
InChI	InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17-,18-,19+,20-,21-/m1/s1
SMILES	O=C1C[C@H](C2=CC=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2)OC2=CC(O)=CC=C12

Properties

Molecular Formula	C21H22O9
Molecular Weight	418.40
Exact Mass	418.12638
Log P (ALogP)	0.28
TPSA	145.91
H-Bond Donors / Acceptors	5 / 9
Rotatable Bonds	4
Lipinski's Rule of 5 Violations	0
QED Drug-likeness	0.47
NP-likeness	1.91

Classification

NP Pathway	Shikimates and Phenylpropanoids
NP Superclass	Flavonoids
NP Class	Flavanones
Chemical Superclass	Phenylpropanoids and polyketides
Chemical Class	Flavonoids
Chemical Subclass	Flavonoid glycosides

Reported in GR-MAPs Plants

Glycyrrhiza glabra	as “Glycyrrhiza glabra” in COCONUT

References (1)

10.1248/CPB.59.1535

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.

COCONUT Compound