Molecule

Albogrisin D'

AlkaPlorer ID: AK057602

Synonym: 'Albogrisin D'

IUPAC Name: methyl (4S)-4-[[(1R,2R,3aS)-9b-hydroxy-1-methoxy-3-methyl-2-(methylcarbamoyl)-4-oxo-2,5-dihydro-1H-benzo[e]indole-3a-carbonyl]amino]-7-methyl-5-oxooct-6-enoate

Structure

SMILES: CN=C(O)[C@H]1[C@@H](OC)C2(O)C3=CC=CC=C3CC(=O)[C@@]2(C(O)=N[C@@H](CCC(=O)OC)C(=O)C=C(C)C)N1C

InChI: InChI=1S/C27H35N3O8/c1-15(2)13-19(31)18(11-12-21(33)37-5)29-25(35)26-20(32)14-16-9-7-8-10-17(16)27(26,36)23(38-6)22(30(26)4)24(34)28-3/h7-10,13,18,22-23,36H,11-12,14H2,1-6H3,(H,28,34)(H,29,35)/t18-,22+,23+,26-,27?/m0/s1

InChIKey: JSYSUIXFPMCTJG-MNWZKLQZSA-N

Reference

Characterization and Nonenzymatic Transformation of Three Types of Alkaloids from <i>Streptomyces albogriseolus</i> MGR072 and Discovery of Inhibitors of Indoleamine 2,3-Dioxygenase

PubChem CID: 163110232

LOTUS: LTS0065255

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces albogriseolus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 529.5900000000003

TPSA？: 158.32

MolLogP？: 1.4670999999999998

Number of H-Donors: 3

Number of H-Acceptors: 9

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi