Pre-sclerotiotide F
AlkaPlorer ID: AK084999
Synonym: None
IUPAC Name: (2E,4E)-N-[(3S,6S,9S)-3,7-dimethyl-2,5,8-trioxo-6-propan-2-yl-1,4,7-triazacyclododec-9-yl]-6-oxohexa-2,4-dienamide
Structure
SMILES: CC(C)[C@H]1C(O)=N[C@@H](C)C(O)=NCCC[C@H](N=C(O)/C=C/C=C/C=O)C(=O)N1C
InChI: InChI=1S/C20H30N4O5/c1-13(2)17-19(28)22-14(3)18(27)21-11-8-9-15(20(29)24(17)4)23-16(26)10-6-5-7-12-25/h5-7,10,12-15,17H,8-9,11H2,1-4H3,(H,21,27)(H,22,28)(H,23,26)/b7-5+,10-6+/t14-,15-,17-/m0/s1
InChIKey: UITINDVBHJVYAN-CAYPRPDESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus insulicola | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 406.48300000000006
TPSA？: 135.15
MolLogP？: 2.2011000000000003
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|