5-hydroxy-7,8-dimethoxy-2-[2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chromen-4-one

CNP0244603.1 · C23H24O11 · View on COCONUT ↗

2D Structure

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Identifiers

IUPAC Name	5-hydroxy-7,8-dimethoxy-2-[2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chromen-4-one
COCONUT ID	CNP0244603.1
InChIKey	UIDKZSCQWVGRNB-PUIBNRJISA-N
InChI	InChI=1S/C23H24O11/c1-30-15-8-12(26)17-11(25)7-14(32-22(17)21(15)31-2)10-5-3-4-6-13(10)33-23-20(29)19(28)18(27)16(9-24)34-23/h3-8,16,18-20,23-24,26-29H,9H2,1-2H3/t16-,18-,19+,20-,23-/m1/s1
SMILES	COC1=CC(O)=C2C(=O)C=C(C3=CC=CC=C3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC2=C1OC

Properties

Molecular Formula	C23H24O11
Molecular Weight	476.43
Exact Mass	476.13186
Log P (ALogP)	0.36
TPSA	168.28
H-Bond Donors / Acceptors	5 / 11
Rotatable Bonds	6
Lipinski's Rule of 5 Violations	1
QED Drug-likeness	0.33
NP-likeness	1.80

Classification

NP Pathway	Shikimates and Phenylpropanoids
NP Superclass	Flavonoids
NP Class	Flavones
Chemical Superclass	Phenylpropanoids and polyketides
Chemical Class	Flavonoids
Chemical Subclass	O-methylated flavonoids

Reported in GR-MAPs Plants

Andrographis paniculata	as “Andrographis paniculata” in COCONUT

References (4)

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