chaetominine
AlkaPlorer ID: AK062241
Synonym: 'Chaetominine', 'Isochaetominine'
IUPAC Name: (1S,10R,13S,15R)-1-hydroxy-10-methyl-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione
Structure
SMILES: C[C@@H]1C(=O)N2C3=CC=CC=C3[C@@]3(O)C[C@H](N4C=NC5=CC=CC=C5C4=O)C(=O)N1[C@H]23
InChI: InChI=1S/C22H18N4O4/c1-12-18(27)26-16-9-5-3-7-14(16)22(30)10-17(20(29)25(12)21(22)26)24-11-23-15-8-4-2-6-13(15)19(24)28/h2-9,11-12,17,21,30H,10H2,1H3/t12-,17+,21-,22+/m1/s1
InChIKey: GEURDGODABUDHB-SLFNRPLXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 402.41000000000014
TPSA？: 95.74
MolLogP？: 1.1324999999999998
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Alternaria alternata | Alternaria alternata | MIC | 25.0 | ug.mL-1 | 10.1021/jf300146n |
| Alternaria solani | Alternaria solani | MIC | 12.5 | ug.mL-1 | 10.1021/jf300146n |
| Artemia salina | Artemia salina | LC50 | 72.8 | ug.mL-1 | 10.1021/jf300146n |
| Botrytis cinerea | Botrytis cinerea | MIC | 25.0 | ug.mL-1 | 10.1021/jf300146n |
| Colletotrichum gloeosporioides | Colletotrichum gloeosporioides | MIC | 100.0 | ug.mL-1 | 10.1021/jf300146n |
| Fusarium graminearum | Fusarium graminearum | MIC | 50.0 | ug.mL-1 | 10.1021/jf300146n |
| Fusarium oxysporum f. sp. niveum | Fusarium oxysporum f. sp. niveum | MIC | 100.0 | ug.mL-1 | 10.1021/jf300146n |
| Fusarium oxysporum f. sp. vasinfectum | Fusarium oxysporum f. sp. vasinfectum | MIC | 100.0 | ug.mL-1 | 10.1021/jf300146n |
| Fusarium solani | Fusarium solani | MIC | 100.0 | ug.mL-1 | 10.1021/jf300146n |