Unguisin B
AlkaPlorer ID: AK024383
Synonym: None
IUPAC Name: (3R,6R,9R,12S,15R,18R)-3-(1H-indol-3-ylmethyl)-6,18-dimethyl-12-(2-methylpropyl)-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[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/c1-19(2)16-27-35(50)45-30(20(3)4)36(51)41-23(8)32(47)42-28(17-24-18-39-26-13-10-9-12-25(24)26)34(49)38-15-11-14-29(46)40-22(7)33(48)44-31(21(5)6)37(52)43-27/h9-10,12-13,18-23,27-28,30-31,39H,11,14-17H2,1-8H3,(H,38,49)(H,40,46)(H,41,51)(H,42,47)(H,43,52)(H,44,48)(H,45,50)/t22-,23-,27+,28-,30-,31-/m1/s1
InChIKey: STCFDPSTGTYYBQ-MDODTGCMSA-N
Reference
Unguisin C, a GABA-containing cyclic peptide from the fungus Emericella unguis
PubChem CID: 11802998
LOTUS: LTS0132193
{NPAtlas: NPA017556
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 |
|---|