Sclerotiotide A
AlkaPlorer ID: AK074967
Synonym: None
IUPAC Name: (2E,4E,6E)-N-[(3S,6S,9S)-3,4-dimethyl-2,5,8-trioxo-6-propan-2-yl-1,4,7-triazacyclododec-9-yl]octa-2,4,6-trienamide
Structure
SMILES: C/C=C/C=C/C=C/C(O)=N[C@H]1CCCN=C(O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N=C1O
InChI: InChI=1S/C22H34N4O4/c1-6-7-8-9-10-13-18(27)24-17-12-11-14-23-20(28)16(4)26(5)22(30)19(15(2)3)25-21(17)29/h6-10,13,15-17,19H,11-12,14H2,1-5H3,(H,23,28)(H,24,27)(H,25,29)/b7-6+,9-8+,13-10+/t16-,17-,19-/m0/s1
InChIKey: ZRECDKRYGORPRG-VUOPYGPLSA-N
Reference
Cyclic Tripeptides from the Halotolerant Fungus <i>Aspergillus sclerotiorum</i> PT06-1
PubChem CID: 46849843
LOTUS: LTS0202834
SuperNatural Ⅲ: SN0478110-01
NPASS: NPC184473
{NPAtlas: NPA014338
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: 418.5380000000001
TPSA？: 118.08
MolLogP？: 3.5783000000000023
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 7500.0 | 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 |