Crambescin A2 392
AlkaPlorer ID: AK129550
Synonym: None
IUPAC Name: 4-(diaminomethylideneamino)butyl (3R)-1-amino-3-heptyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate
Structure
SMILES: CCCCCCC[C@H]1NC(=N)N2CCCC2=C1C(=O)OCCCCNC(=N)N
InChI: InChI=1S/C20H36N6O2/c1-2-3-4-5-6-10-15-17(16-11-9-13-26(16)20(23)25-15)18(27)28-14-8-7-12-24-19(21)22/h15H,2-14H2,1H3,(H2,23,25)(H4,21,22,24)/t15-/m1/s1
InChIKey: DBCFANJJFGERBS-OAHLLOKOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 392.5480000000002
TPSA？: 127.32
MolLogP？: 2.4098400000000004
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 | 22000.0 | nM | 10.1021/np501052a |
| Candida albicans | Candida albicans | MIC90 | 32000.0 | nM | 10.1021/np501052a |
| Cryptococcus gattii | Cryptococcus bacillisporus | MIC50 | 1200.0 | nM | 10.1021/np501052a |
| Cryptococcus gattii | Cryptococcus bacillisporus | MIC90 | 2300.0 | 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 |