aspergicin
AlkaPlorer ID: AK019160
Synonym: None
IUPAC Name: 12-methoxy-17-[(2S)-pyrrolidin-2-yl]-9-oxa-1,16-diazatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10,12,14(18),16-heptaene-8,15-dione
Structure
SMILES: COC1=CC2=C3C(=C1)C(=O)N=C([C@@H]1CCCN1)N3C1=CC=CC=C1C(=O)O2
InChI: InChI=1S/C20H17N3O4/c1-26-11-9-13-17-16(10-11)27-20(25)12-5-2-3-7-15(12)23(17)18(22-19(13)24)14-6-4-8-21-14/h2-3,5,7,9-10,14,21H,4,6,8H2,1H3/t14-/m0/s1
InChIKey: CNJSVNCVRSJABJ-AWEZNQCLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sp. | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 363.3730000000001
TPSA？: 82.45
MolLogP？: 2.3514
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|