Chaetoglobosin A
AlkaPlorer ID: AK008141
Synonym: None
IUPAC Name: (1R,3E,6R,7E,9S,11E,13R,14S,16R,17S,18R,19S)-6-hydroxy-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-triene-2,5,21-trione
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)/C=C/C(=O)[C@@H]1O
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/h5-7,9-14,16-17,19,22,24,27-29,33,37H,8,15H2,1-4H3,(H,34,38)/b10-7+,13-12+,18-14+/t17-,19-,22-,24-,27-,28+,29-,31+,32+/m0/s1
InChIKey: OUMWCYMRLMEZJH-VOXRAUTJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Maytenus hookeri | Maytenus | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Ginkgo biloba | Ginkgo | Ginkgoaceae | Ginkgoales | Ginkgoopsida | Streptophyta | Viridiplantae | Eukaryota |
| Chaetomium globosum | Chaetomium | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 528.6490000000002
TPSA？: 115.28
MolLogP？: 4.672700000000003
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Amorphotheca resinae | Amorphotheca resinae | IZ | 5.0 | mm | 10.1021/np030460g |
| Artemia salina | Artemia salina | Activity | 83.4 | % | 10.1016/j.bmcl.2009.02.025 |
| Bacillus subtilis | Bacillus subtilis | IZ | 3.0 | mm | 10.1021/np030460g |
| Homo sapiens | HeLa | IC50 | 3.2 | ug.mL-1 | 10.1021/np030460g |
| Homo sapiens | HepG2 | IC50 | 6300.0 | nM | 10.1021/acs.jnatprod.6b00333 |
| Mus musculus | P388 | IC50 | 1.94 | ug.mL-1 | 10.1021/np030460g |
| Rhizomucor miehei | Rhizomucor miehei | IZ | 25.0 | mm | 10.1016/j.bmcl.2009.02.025 |