None
AlkaPlorer ID: AK323767
Synonym: None
IUPAC Name: (1S,4S,7S,9R)-9-hydroxy-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Structure
SMILES: CC(C)[C@@H]1N=C(O)[C@@H]2C[C@@]3(O)C4=CC=CC=C4N[C@H]3N2C1=O
InChI: InChI=1S/C16H19N3O3/c1-8(2)12-14(21)19-11(13(20)18-12)7-16(22)9-5-3-4-6-10(9)17-15(16)19/h3-6,8,11-12,15,17,22H,7H2,1-2H3,(H,18,20)/t11-,12-,15-,16+/m0/s1
InChIKey: MBNQDQBVJHFMFV-GVAFMPQTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phaeosphaeria fuckelii | Phaeosphaeria | Phaeosphaeriaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 301.34600000000006
TPSA？: 85.16
MolLogP？: 1.2213999999999998
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Inhibition | None | % | 10.1021/acs.jnatprod.0c00046 |