Chaetoglobosin C
AlkaPlorer ID: AK042317
Synonym: None
IUPAC Name: (1R,7E,9S,11E,13R,14S,16R,17S,18R,19S)-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-7,11-diene-2,5,6,21-tetrone
Structure
SMILES: C/C1=C\[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](CC4=CNC5=CC=CC=C45)N=C(O)[C@]32C(=O)CCC(=O)C1=O
InChI: InChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-11,14,16-17,19,22,24,27,29,33H,8,12-13,15H2,1-4H3,(H,34,38)/b10-7+,18-14+/t17-,19-,22-,24-,27-,29-,31+,32+/m0/s1
InChIKey: RIZAHVBYKWUPHQ-GNNSKLCBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chaetomium sp. | Chaetomium | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Chaetomium globosum | Chaetomium | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| None | Chaetomium | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 528.6490000000003
TPSA？: 112.11999999999998
MolLogP？: 5.104900000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia salina | Artemia salina | Activity | 75.3 | % | 10.1016/j.bmcl.2009.02.025 |
| Homo sapiens | HeLa | IC50 | 3.2 | ug.mL-1 | 10.1021/np030460g |
| Homo sapiens | KB | IC50 | 34000.0 | nM | 10.1021/np050515+ |
| Rhizomucor miehei | Rhizomucor miehei | IZ | 15.0 | mm | 10.1016/j.bmcl.2009.02.025 |