Molecule

Ammonificin A

AlkaPlorer ID: AK050024

Synonym: None

IUPAC Name: (3S,4S)-8-[(1R)-2-amino-1-hydroxyethyl]-4-(3-bromo-4-hydroxyphenyl)-3-(3-hydroxyphenoxy)-3,4-dihydro-2H-chromen-5-ol

Structure

SMILES: NC[C@H](O)C1=CC=C(O)C2=C1OC[C@@H](OC1=CC=CC(O)=C1)[C@H]2C1=CC=C(O)C(Br)=C1

InChI: InChI=1S/C23H22BrNO6/c24-16-8-12(4-6-17(16)27)21-20(31-14-3-1-2-13(26)9-14)11-30-23-15(19(29)10-25)5-7-18(28)22(21)23/h1-9,19-21,26-29H,10-11,25H2/t19-,20+,21+/m0/s1

InChIKey: FLXXHDISQKOVSO-PWRODBHTSA-N

Reference

Ammonificins A and B, Hydroxyethylamine Chroman Derivatives from a Cultured Marine Hydrothermal Vent Bacterium, <i>Thermovibrio ammonificans</i>

PubChem CID: 44178862

LOTUS: LTS0007305

SuperNatural Ⅲ: SN0089258-02

{

NPAtlas: NPA003145

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Thermovibrio ammonificans	Thermovibrio	Desulfurobacteriaceae	Desulfurobacteriales	Aquificae	Aquificota	None	Bacteria

Properties Information

Molecule Weight: 488.33400000000006

TPSA？: 125.40000000000002

MolLogP？: 3.5299000000000014

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi