Chetoseminudin B
AlkaPlorer ID: AK049770
Synonym: None
IUPAC Name: (3S,6S)-6-(hydroxymethyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
Structure
SMILES: CS[C@]1(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)/t16-,17-/m0/s1
InChIKey: CCPHAMSKHBDMDS-IRXDYDNUSA-N
Reference
Immunomodulatory Constituents from an Ascomycete, <i>Chaetomium </i><i>s</i><i>eminudum</i>
PubChem CID: 11211175
LOTUS: LTS0253972
NPASS: NPC294693
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Acrostalagmus | Plectosphaerellaceae | Glomerellales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Nectria inventa | Nectria | Nectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Phaeosphaeria fuckelii | Phaeosphaeria | Phaeosphaeriaceae | Pleosporales | Dothideomycetes | 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