Aspergillazine A
AlkaPlorer ID: AK289465
Synonym: None
IUPAC Name: N-(7,8-dimethoxy-2-oxochromen-3-yl)-5,9-dihydroxy-3-oxa-11-thia-2-azatricyclo[6.2.1.04,9]undec-6-ene-1-carboxamide
Structure
SMILES: COC1=CC=C2C=C(N=C(O)C34CC5(O)C(C=CC(O)C5ON3)S4)C(=O)OC2=C1OC
InChI: InChI=1S/C20H20N2O8S/c1-27-12-5-3-9-7-10(17(24)29-14(9)15(12)28-2)21-18(25)20-8-19(26)13(31-20)6-4-11(23)16(19)30-22-20/h3-7,11,13,16,22-23,26H,8H2,1-2H3,(H,21,25)
InChIKey: BORNJBKYDWJXSF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichoderma cf. brevicompactum TPU199 | Trichoderma | Hypocreaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 448.4530000000002
TPSA？: 142.98
MolLogP？: 1.1652000000000002
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|