Chetoseminudin C
AlkaPlorer ID: AK049780
Synonym: None
IUPAC Name: (3S,6S)-3-(hydroxymethyl)-6-(1H-indol-3-ylmethyl)-3,6-bis(methylsulfanyl)piperazine-2,5-dione
Structure
SMILES: CS[C@]1(CO)N=C(O)[C@](CC2=CNC3=CC=CC=C23)(SC)N=C1O
InChI: InChI=1S/C16H19N3O3S2/c1-23-15(7-10-8-17-12-6-4-3-5-11(10)12)13(21)19-16(9-20,24-2)14(22)18-15/h3-6,8,17,20H,7,9H2,1-2H3,(H,18,22)(H,19,21)/t15-,16-/m0/s1
InChIKey: NOPTYKZKJYUDRQ-HOTGVXAUSA-N
Reference
Immunomodulatory Constituents from an Ascomycete, <i>Chaetomium </i><i>s</i><i>eminudum</i>
PubChem CID: 11360558
LOTUS: LTS0262405
NPASS: NPC163055
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Acrostalagmus | Plectosphaerellaceae | Glomerellales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Chaetomium cochliodes | Chaetomium | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Oidiodendron truncatum | Oidiodendron | Myxotrichaceae | None | Leotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 365.4800000000001
TPSA？: 101.20000000000002
MolLogP？: 2.7479000000000005
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | IC50 | 10000.0 | nM | 10.1021/np3000443 |
| Homo sapiens | A549 | Activity | nan | None | 10.1021/acs.jnatprod.9b00239 |
| Homo sapiens | A549 | IC50 | 10000.0 | nM | 10.1021/np3000443 |
| Homo sapiens | Bel-7402 | IC50 | 10000.0 | nM | 10.1021/np3000443 |
| Homo sapiens | BGC-823 | IC50 | 10000.0 | nM | 10.1021/np3000443 |
| Homo sapiens | HCT-8 | IC50 | 10000.0 | nM | 10.1021/np3000443 |
| Homo sapiens | HeLa | Activity | nan | None | 10.1021/acs.jnatprod.9b00239 |
| Homo sapiens | HepG2 | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2012.08.115 |
| Homo sapiens | Huh-7 | Activity | nan | None | 10.1021/acs.jnatprod.9b00239 |
| Homo sapiens | MCF7 | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2012.08.115 |
| Homo sapiens | NCI-H460 | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2012.08.115 |
| Homo sapiens | SF-268 | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2012.08.115 |
| None | NON-PROTEIN TARGET | IC50 | 50.0 | ug.mL-1 | 10.1021/np0302201 |
| None | NON-PROTEIN TARGET | IC50 | nan | None | 10.1021/np0302201 |