Unguisin B
AlkaPlorer ID: AK082971
Synonym: ''
IUPAC Name: (3R,6R,9R,12S,15R,18R)-12-[(2R)-butan-2-yl]-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@@H](C)[C@@H]1N=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=C(O)[C@@H](C(C)C)N=C1O
InChI: InChI=1S/C37H56N8O7/c1-9-21(6)31-37(52)44-29(19(2)3)35(50)41-23(8)32(47)42-27(17-24-18-39-26-14-11-10-13-25(24)26)34(49)38-16-12-15-28(46)40-22(7)33(48)43-30(20(4)5)36(51)45-31/h10-11,13-14,18-23,27,29-31,39H,9,12,15-17H2,1-8H3,(H,38,49)(H,40,46)(H,41,50)(H,42,47)(H,43,48)(H,44,52)(H,45,51)/t21-,22-,23-,27-,29-,30-,31+/m1/s1
InChIKey: DLGQVTFCVCCOEO-TZEXHMFTSA-N
Reference
Unguisin C, a GABA-containing cyclic peptide from the fungus Emericella unguis
PubChem CID: 163103854
LOTUS: LTS0153311
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus unguis | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 724.9040000000002
TPSA？: 243.92
MolLogP？: 6.809200000000005
Number of H-Donors: 8
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|