Chaetocochin J
AlkaPlorer ID: AK012142
Synonym: None
IUPAC Name: (1S,6S)-1-(hydroxymethyl)-6-[[1-[(1R)-4-(hydroxymethyl)-5-methyl-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-7,10,12,14-tetraen-9-yl]indol-3-yl]methyl]-7,9-dimethyl-2,3,4,5-tetrathia-7,9-diazabicyclo[4.2.2]decane-8,10-dione
Structure
SMILES: CN1C(=O)C2=CC3(N4C=C(C[C@@]56SSSS[C@@](CO)(C(=O)N5C)N(C)C6=O)C5=CC=CC=C54)C4=CC=CC=C4N[C@@H]3N2C(=O)C1CO
InChI: InChI=1S/C31H30N6O6S4/c1-33-23(15-38)25(41)37-22(24(33)40)13-29(19-9-5-6-10-20(19)32-26(29)37)36-14-17(18-8-4-7-11-21(18)36)12-30-27(42)35(3)31(16-39,28(43)34(30)2)45-47-46-44-30/h4-11,13-14,23,26,32,38-39H,12,15-16H2,1-3H3/t23?,26-,29?,30+,31+/m1/s1
InChIKey: DNOIOYRQDAJQMV-QMKBPJJVSA-N
Reference
Indole Alkaloids from <i>Chaetomium globosum</i>
PubChem CID: 122181662
LOTUS: LTS0136543
NPASS: NPC476817
{NPAtlas: NPA000310
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chaetomium globosum | Chaetomium | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 710.8850000000001
TPSA？: 138.66
MolLogP？: 2.2447000000000004
Number of H-Donors: 3
Number of H-Acceptors: 12
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 25.0 | ug.mL-1 | 10.1021/np5007235 |
| Escherichia coli | Escherichia coli | MIC | 50.0 | ug.mL-1 | 10.1021/np5007235 |
| None | No relevant target | Inhibition | 10.0 | % | 10.1021/np5007235 |
| None | No relevant target | Inhibition | 14.8 | % | 10.1021/np5007235 |
| None | No relevant target | Inhibition | 20.0 | % | 10.1021/np5007235 |