Chaetoglobosin E
AlkaPlorer ID: AK012212
Synonym: None
IUPAC Name: (1R,5S,7E,9S,11E,13R,14S,17R,18S)-5,14-dihydroxy-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-19-azatricyclo[11.7.0.01,17]icosa-7,11,15-triene-2,6,20-trione
Structure
SMILES: CC1=C(C)[C@H]2[C@H](CC3=CNC4=CC=CC=C34)NC(=O)[C@]23C(=O)CC[C@H](O)C(=O)/C(C)=C/[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChI: InChI=1S/C32H38N2O5/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/h5-7,9-11,14,16-17,23,25-26,28,30,33,35,38H,8,12-13,15H2,1-4H3,(H,34,39)/b10-7+,18-14+/t17-,23-,25-,26-,28-,30+,32+/m0/s1
InChIKey: FPNAKNFLJIQADW-CNYNBRRPSA-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 |
| None | Chaetomium | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 530.6650000000004
TPSA？: 119.49
MolLogP？: 3.960100000000003
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | IC50 | 3.2 | ug.mL-1 | 10.1021/np030460g |
| Homo sapiens | HepG2 | IC50 | 3600.0 | nM | 10.1021/acs.jnatprod.6b00333 |
| Homo sapiens | KB | IC50 | 40000.0 | nM | 10.1021/np050515+ |