Unguisin A
AlkaPlorer ID: AK317167
Synonym: None
IUPAC Name: 12-benzyl-3-(1H-indol-3-ylmethyl)-6,18-dimethyl-9,15-di(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptone
Structure
SMILES: CC1N=C(O)CCCN=C(O)C(CC2=CNC3=CC=CC=C23)N=C(O)C(C)N=C(O)C(C(C)C)N=C(O)C(CC2=CC=CC=C2)N=C(O)C(C(C)C)N=C1O
InChI: InChI=1S/C40H54N8O7/c1-22(2)33-39(54)44-25(6)35(50)45-31(20-27-21-42-29-16-11-10-15-28(27)29)37(52)41-18-12-17-32(49)43-24(5)36(51)47-34(23(3)4)40(55)46-30(38(53)48-33)19-26-13-8-7-9-14-26/h7-11,13-16,21-25,30-31,33-34,42H,12,17-20H2,1-6H3,(H,41,52)(H,43,49)(H,44,54)(H,45,50)(H,46,55)(H,47,51)(H,48,53)
InChIKey: JLLVQPKAQVOYFS-UHFFFAOYSA-N
Reference
Unguisin C, a GABA-containing cyclic peptide from the fungus Emericella unguis
PubChem CID: 45782867
CAS: 226956-06-5
LOTUS: LTS0173507
COCONUT: CNP0291318.5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus unguis | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 758.921
TPSA？: 243.92
MolLogP？: 7.005800000000006
Number of H-Donors: 8
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|