Molecule

Antibiotic PDE I

AlkaPlorer ID: AK038605

Synonym: PDE I

IUPAC Name: 6-carbamoyl-5-hydroxy-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid

SMILES: COC1=C2NC(C(=O)O)=CC2=C2CCN(C(=N)O)C2=C1O

InChI: InChI=1S/C13H13N3O5/c1-21-11-8-6(4-7(15-8)12(18)19)5-2-3-16(13(14)20)9(5)10(11)17/h4,15,17H,2-3H2,1H3,(H2,14,20)(H,18,19)

InChIKey: TYNSUEXNGLNQSS-UHFFFAOYSA-N

PubChem CID: 198428

CAS: 62497-62-5

NPASS: NPC12311

COCONUT: CNP0181652

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Givotia madagascariensis	Givotia	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces griseoflavus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Juniperus virginiana	Juniperus	Cupressaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Psorothamnus fremontii	Psorothamnus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rohdea yunnanensis	Rohdea	Asparagaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Squalus suckleyi	Squalus	Squalidae	Squaliformes	Chondrichthyes	Chordata	Metazoa	Eukaryota

Molecule Weight: 291.26300000000003

TPSA？: 129.87

MolLogP？: 1.4355699999999998

Number of H-Donors: 5

Number of H-Acceptors: 4

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi