Zygosporin D; 18-Epimer; 17-deoxo, 21-Ac
AlkaPlorer ID: AK318179
Synonym: Cytochalasin H, Kodocytochalasin 1, Paspalin P1
IUPAC Name: (16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl) acetate
Structure
SMILES: C=C1C(C)C2C(CC3=CC=CC=C3)N=C(O)C23C(OC(C)=O)C=CC(C)(O)CC(C)CC=CC3C1O
InChI: InChI=1S/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)
InChIKey: NAEWXXDGBKTIMN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gleditsia japonica | Gleditsia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Gleditsia sinensis | Gleditsia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Phomopsis | Valsaceae | Diaporthales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Endothia gyrosa | Endothia | Cryphonectriaceae | Diaporthales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 493.6440000000003
TPSA？: 99.35
MolLogP？: 4.578400000000005
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Ataxin-2 | Potency | 299.3 | nM | None |
| Homo sapiens | Geminin | Potency | 651.3 | nM | None |
| Homo sapiens | Geminin | Potency | 3662.6 | nM | None |
| Homo sapiens | Glucagon-like peptide 1 receptor | Potency | 354.8 | nM | None |
| Homo sapiens | Glycoprotein hormones alpha chain | Potency | 794.3 | nM | None |
| Homo sapiens | HEK293 | Potency | 2238.7 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 2310.9 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 461.1 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 730.8 | nM | None |
| None | Unchecked | EC50 | 448.0 | nM | None |
| None | Unchecked | Potency | 231.1 | nM | None |
| None | Unchecked | Potency | 316.2 | nM | None |
| None | Unchecked | Potency | 2818.4 | nM | None |
| None | Unchecked | Potency | 3981.1 | nM | None |
| None | Unchecked | Potency | 11220.2 | nM | None |
| None | Unchecked | Potency | 11582.1 | nM | None |