3-[(1H-indol-3-yl)methyl]-6,18-dimethyl-9,12-bis(2-methylpropyl)-15-(propan-2-yl)-1,4,7,10,13,16,19-heptaazacyclotricosane-2,5,8,11,14,17,20-heptone
AlkaPlorer ID: AK193690
Synonym: None
IUPAC Name: 3-(1H-indol-3-ylmethyl)-6,18-dimethyl-9,12-bis(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptone
Structure
SMILES: CC(C)CC1N=C(O)C(CC(C)C)N=C(O)C(C(C)C)N=C(O)C(C)N=C(O)CCCN=C(O)C(CC2=CNC3=CC=CC=C23)N=C(O)C(C)N=C1O
InChI: InChI=1S/C38H58N8O7/c1-20(2)16-28-36(51)42-24(8)33(48)43-30(18-25-19-40-27-13-10-9-12-26(25)27)35(50)39-15-11-14-31(47)41-23(7)34(49)46-32(22(5)6)38(53)45-29(17-21(3)4)37(52)44-28/h9-10,12-13,19-24,28-30,32,40H,11,14-18H2,1-8H3,(H,39,50)(H,41,47)(H,42,51)(H,43,48)(H,44,52)(H,45,53)(H,46,49)
InChIKey: XYHTWXJPQOLYED-UHFFFAOYSA-N
Reference
Unguisin C, a GABA-containing cyclic peptide from the fungus Emericella unguis
PubChem CID: 162957995
LOTUS: LTS0168412
COCONUT: CNP0228934
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus unguis | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 738.9310000000002
TPSA？: 243.92
MolLogP？: 7.199300000000005
Number of H-Donors: 8
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|