Unguisin C
AlkaPlorer ID: AK013239
Synonym: None
IUPAC Name: (3R,6R,9R,12S,15R,18R)-12-benzyl-6-(hydroxymethyl)-3-(1H-indol-3-ylmethyl)-18-methyl-9,15-di(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptone
Structure
SMILES: CC(C)[C@H]1N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H](C(C)C)N=C(O)[C@@H](C)N=C(O)CCCN=C(O)[C@@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@@H](CO)N=C1O
InChI: InChI=1S/C40H54N8O8/c1-22(2)33-39(55)45-29(18-25-12-7-6-8-13-25)37(53)48-34(23(3)4)40(56)46-31(21-49)38(54)44-30(19-26-20-42-28-15-10-9-14-27(26)28)36(52)41-17-11-16-32(50)43-24(5)35(51)47-33/h6-10,12-15,20,22-24,29-31,33-34,42,49H,11,16-19,21H2,1-5H3,(H,41,52)(H,43,50)(H,44,54)(H,45,55)(H,46,56)(H,47,51)(H,48,53)/t24-,29+,30-,31-,33-,34-/m1/s1
InChIKey: DYUXTXRHHWGWDU-FAPNWWIJSA-N
Reference
Unguisin C, a GABA-containing cyclic peptide from the fungus Emericella unguis
PubChem CID: 139583185
LOTUS: LTS0021024
{NPAtlas: NPA000347
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus unguis | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 774.9200000000002
TPSA？: 264.15000000000003
MolLogP？: 5.978200000000005
Number of H-Donors: 9
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|