Sclerotiotide F
AlkaPlorer ID: AK058736
Synonym: None
IUPAC Name: (2E,4E)-6-oxo-N-[(3S,6S,9S)-3,4,7-trimethyl-2,5,8-trioxo-6-propan-2-yl-1,4,7-triazacyclododec-9-yl]hexa-2,4-dienamide
Structure
SMILES: CC(C)[C@H]1C(=O)N(C)[C@@H](C)C(=O)NCCC[C@H](NC(=O)/C=C/C=C/C=O)C(=O)N1C
InChI: InChI=1S/C21H32N4O5/c1-14(2)18-21(30)24(4)15(3)19(28)22-12-9-10-16(20(29)25(18)5)23-17(27)11-7-6-8-13-26/h6-8,11,13-16,18H,9-10,12H2,1-5H3,(H,22,28)(H,23,27)/b8-6+,11-7+/t15-,16-,18-/m0/s1
InChIKey: KPPYRCDQUDIYQD-CAYKZORVSA-N
Reference
Cyclic Tripeptides from the Halotolerant Fungus <i>Aspergillus sclerotiorum</i> PT06-1
PubChem CID: 46850006
LOTUS: LTS0222954
SuperNatural Ⅲ: SN0192002-01
NPASS: NPC155230
{NPAtlas: NPA014073
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sclerotiorum | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 420.51000000000016
TPSA？: 115.89
MolLogP？: 0.0224000000000021
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 30000.0 | nM | 10.1021/np100198h |
| Escherichia coli | Escherichia coli | MIC | nan | None | 10.1021/np100198h |
| Homo sapiens | A549 | Inhibition | nan | % | 10.1021/np100198h |
| Homo sapiens | HL-60 | Inhibition | nan | % | 10.1021/np100198h |
| Staphylococcus aureus | Staphylococcus aureus | MIC | nan | None | 10.1021/np100198h |