Molecule

Ammonificin B

AlkaPlorer ID: AK074022

Synonym: None

IUPAC Name: (3S,4S)-8-[(1R)-2-amino-1-hydroxyethyl]-4-(3,4-dibromophenyl)-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(Br)C(Br)=C1

InChI: InChI=1S/C23H21Br2NO5/c24-16-6-4-12(8-17(16)25)21-20(31-14-3-1-2-13(27)9-14)11-30-23-15(19(29)10-26)5-7-18(28)22(21)23/h1-9,19-21,27-29H,10-11,26H2/t19-,20+,21+/m0/s1

InChIKey: RXHDLZKGVZUGQS-PWRODBHTSA-N

Reference

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

PubChem CID: 44178861

LOTUS: LTS0004676

SuperNatural Ⅲ: SN0337751-02

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NPAtlas: NPA009809

Source

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

Properties Information

Molecule Weight: 551.231

TPSA？: 105.17000000000002

MolLogP？: 4.586800000000002

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi