Cheatoglobosin B
AlkaPlorer ID: AK021168
Synonym: None
IUPAC Name: (1R,3E,6R,7E,9S,11E,13R,14S,17R,18S)-6,14-dihydroxy-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-19-azatricyclo[11.7.0.01,17]icosa-3,7,11,15-tetraene-2,5,20-trione
Structure
SMILES: CC1=C(C)[C@H]2[C@H](CC3=CNC4=CC=CC=C34)N=C(O)[C@]23C(=O)/C=C/C(=O)[C@H](O)/C(C)=C/[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChI: InChI=1S/C32H36N2O5/c1-17-8-7-10-23-30(38)20(4)19(3)28-25(15-21-16-33-24-11-6-5-9-22(21)24)34-31(39)32(23,28)27(36)13-12-26(35)29(37)18(2)14-17/h5-7,9-14,16-17,23,25,28-30,33,37-38H,8,15H2,1-4H3,(H,34,39)/b10-7+,13-12+,18-14+/t17-,23-,25-,28-,29+,30+,32+/m0/s1
InChIKey: VUEFRYQBOMQOMV-MLXGBZTESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chaetomium subaffine | Chaetomium | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Chaetomium globosum | Chaetomium | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 528.6490000000003
TPSA？: 122.98
MolLogP？: 4.576400000000004
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | IZ | 1.0 | mm | 10.1021/np030460g |
| Homo sapiens | HeLa | IC50 | 3.2 | ug.mL-1 | 10.1021/np030460g |
| Homo sapiens | HepG2 | IC50 | 5200.0 | nM | 10.1021/acs.jnatprod.6b00333 |
| Mus musculus | P388 | IC50 | 3.45 | ug.mL-1 | 10.1021/np030460g |