Crambescin A2 406
AlkaPlorer ID: AK129560
Synonym: None
IUPAC Name: 4-(diaminomethylideneamino)butyl (3R)-1-amino-3-octyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate
Structure
SMILES: CCCCCCCC[C@H]1NC(=N)N2CCCC2=C1C(=O)OCCCCNC(=N)N
InChI: InChI=1S/C21H38N6O2/c1-2-3-4-5-6-7-11-16-18(17-12-10-14-27(17)21(24)26-16)19(28)29-15-9-8-13-25-20(22)23/h16H,2-15H2,1H3,(H2,24,26)(H4,22,23,25)/t16-/m1/s1
InChIKey: RPZSQRUVEMXNJB-MRXNPFEDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 406.5750000000002
TPSA？: 127.32
MolLogP？: 2.7999400000000003
Number of H-Donors: 5
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC50 | 14000.0 | nM | 10.1021/np501052a |
| Candida albicans | Candida albicans | MIC90 | 26000.0 | nM | 10.1021/np501052a |
| Cryptococcus gattii | Cryptococcus bacillisporus | MIC50 | 850.0 | nM | 10.1021/np501052a |
| Cryptococcus gattii | Cryptococcus bacillisporus | MIC90 | 2200.0 | nM | 10.1021/np501052a |
| Nakaseomyces glabratus | Nakaseomyces glabratus | MIC50 | nan | None | 10.1021/np501052a |
| Nakaseomyces glabratus | Nakaseomyces glabratus | MIC90 | nan | None | 10.1021/np501052a |
| Pichia kudriavzevii | Pichia kudriavzevii | MIC50 | nan | None | 10.1021/np501052a |
| Pichia kudriavzevii | Pichia kudriavzevii | MIC90 | nan | None | 10.1021/np501052a |