(2E)-3-[(7S,8S)-8,11-dihydroxy-12-methyl-2-oxo-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(10),4,11,13-tetraen-5-yl]prop-2-enamide
AlkaPlorer ID: AK546753
Synonym: None
IUPAC Name: (E)-3-[(6S,6aS)-4,6-dihydroxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enamide
Structure
SMILES: CC1=CC=C2C(=O)N3C=C(/C=C/C(=N)O)C[C@H]3[C@H](O)NC2=C1O
InChI: InChI=1S/C16H17N3O4/c1-8-2-4-10-13(14(8)21)18-15(22)11-6-9(3-5-12(17)20)7-19(11)16(10)23/h2-5,7,11,15,18,21-22H,6H2,1H3,(H2,17,20)/b5-3+/t11-,15-/m0/s1
InChIKey: VGQOVCHZGQWAOI-HYUHUPJXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces refuineus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 315.32900000000006
TPSA？: 116.88
MolLogP？: 1.6343899999999998
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|