Unguisin A
AlkaPlorer ID: AK008062
Synonym: None
IUPAC Name: (3R,6R,9R,12S,15R,18R)-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: 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](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)/t24-,25-,30+,31-,33-,34-/m1/s1
InChIKey: JLLVQPKAQVOYFS-KVOZXUITSA-N
Reference
Unguisin C, a GABA-containing cyclic peptide from the fungus Emericella unguis
PubChem CID: 10652700
LOTUS: LTS0071830
{NPAtlas: NPA006737
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus unguis | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 758.9210000000002
TPSA？: 243.92
MolLogP？: 7.005800000000005
Number of H-Donors: 8
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|