Molecule

Valoneic acid dilactone; Amide

AlkaPlorer ID: AK169102

Synonym: Epilobamide A, Valoneic acid amide dilactone

IUPAC Name: 3,4,5-trihydroxy-2-[(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)oxy]benzamide

Structure

SMILES: N=C(O)C1=CC(O)=C(O)C(O)=C1OC1=CC2=C3C(=C1O)OC(=O)C1=CC(O)=C(O)C(=C13)OC2=O

InChI: InChI=1S/C21H11NO12/c22-19(29)6-2-7(23)12(25)15(28)16(6)32-9-3-5-11-10-4(20(30)34-18(11)14(9)27)1-8(24)13(26)17(10)33-21(5)31/h1-3,23-28H,(H2,22,29)

InChIKey: HXPMHHCHJJHAOY-UHFFFAOYSA-N

Reference

High-performance Liquid Chromatographic/Electrospray Ionization Mass Spectrometric Screening for Polyphenolic Compounds ofEpilobium hirsutum—The Structure of the Unique Ellagitannin Epilobamide-A

PubChem CID: 163032352

LOTUS: LTS0230726

SuperNatural Ⅲ: SN0138253

COCONUT: CNP0311295

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Epilobium hirsutum	Epilobium	Onagraceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 469.31400000000025

TPSA？: 235.11

MolLogP？: 2.3996699999999995

Number of H-Donors: 8

Number of H-Acceptors: 12

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi