Chetoseminudin C; N4-Me
AlkaPlorer ID: AK292215
Synonym: Chetoseminudin B
IUPAC Name: 6-(hydroxymethyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
Structure
SMILES: CSC1(CC2=CNC3=CC=CC=C23)N=C(O)C(CO)(SC)N(C)C1=O
InChI: InChI=1S/C17H21N3O3S2/c1-20-15(23)16(24-2,19-14(22)17(20,10-21)25-3)8-11-9-18-13-7-5-4-6-12(11)13/h4-7,9,18,21H,8,10H2,1-3H3,(H,19,22)
InChIKey: CCPHAMSKHBDMDS-UHFFFAOYSA-N
Reference
Immunomodulatory Constituents from an Ascomycete, <i>Chaetomium </i><i>s</i><i>eminudum</i>
PubChem CID: 10022635
LOTUS: LTS0067859
COCONUT: CNP0304861.2
{NPAtlas: NPA019419
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nectria inventa | Nectria | Nectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| None | Chaetomium | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 379.5070000000002
TPSA？: 88.91999999999999
MolLogP？: 2.2498000000000005
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|