Unguisin D
AlkaPlorer ID: AK100986
Synonym: ''
IUPAC Name: (3R,6R,9R,12S,15R,18R)-9,12-bis[(2S)-butan-2-yl]-3-(1H-indol-3-ylmethyl)-6,18-dimethyl-15-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@@H](C)CC)N=C1O
InChI: InChI=1S/C38H58N8O7/c1-9-21(5)31-37(52)42-24(8)33(48)43-28(18-25-19-40-27-15-12-11-14-26(25)27)35(50)39-17-13-16-29(47)41-23(7)34(49)44-30(20(3)4)36(51)45-32(22(6)10-2)38(53)46-31/h11-12,14-15,19-24,28,30-32,40H,9-10,13,16-18H2,1-8H3,(H,39,50)(H,41,47)(H,42,52)(H,43,48)(H,44,49)(H,45,51)(H,46,53)/t21-,22-,23+,24+,28+,30+,31+,32-/m0/s1
InChIKey: LZWLAWQZNWXBOJ-YBSKIYLQSA-N
Reference
Unguisin C, a GABA-containing cyclic peptide from the fungus Emericella unguis
PubChem CID: 163104995
LOTUS: LTS0008726
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 |
|---|