Molecule

brasiliquinone A

AlkaPlorer ID: AK045642

Synonym: 'Brasiliquinone A', '0089A'

IUPAC Name: (3S)-8-[(2S,4S,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-hydroxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione

Structure

SMILES: CC[C@@H]1CC(=O)C2=C(C=C(O)C3=C2C(=O)C2=CC=CC(O[C@H]4C[C@H](N)[C@@H](O)[C@@H](C)O4)=C2C3=O)C1

InChI: InChI=1S/C26H27NO7/c1-3-12-7-13-9-17(29)22-23(20(13)16(28)8-12)25(31)14-5-4-6-18(21(14)26(22)32)34-19-10-15(27)24(30)11(2)33-19/h4-6,9,11-12,15,19,24,29-30H,3,7-8,10,27H2,1-2H3/t11-,12+,15+,19+,24+/m1/s1

InChIKey: GMELFDQPUZSJEE-CBFFVNGISA-N

Reference

Brasiliquinones A, B and C, New Benz(a)anthraquinone Antibiotics from Nocardia brasiliensis. I. Producing Strain, Isolation and Biological Activities of the Antibiotics.

PubChem CID: 163049851

LOTUS: LTS0193574

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Nocardia brasiliensis	Nocardia	Nocardiaceae	Mycobacteriales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 465.5020000000003

TPSA？: 136.15

MolLogP？: 2.5246000000000004

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi