Chrysosporazine J
AlkaPlorer ID: AK124650
Synonym: None
IUPAC Name: (2R,3S,6S,10R,11S)-5-acetyl-6-benzyl-13-methoxy-11-phenyl-15,17-dioxa-5,8-diazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(19),12,14(18)-trien-9-one
Structure
SMILES: COC1=C2C(=CC3=C1OCO3)[C@H]1[C@H](C(=O)N3C[C@H](CC4=CC=CC=C4)N(C(C)=O)C[C@H]13)[C@H]2C1=CC=CC=C1
InChI: InChI=1S/C31H30N2O5/c1-18(34)32-16-23-26-22-14-24-29(38-17-37-24)30(36-2)27(22)25(20-11-7-4-8-12-20)28(26)31(35)33(23)15-21(32)13-19-9-5-3-6-10-19/h3-12,14,21,23,25-26,28H,13,15-17H2,1-2H3/t21-,23+,25-,26+,28+/m0/s1
InChIKey: VTOITEGQWZFNRK-NCPBTPGXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chrysosporium sp. | Chrysosporium | Onygenaceae | Onygenales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 510.5900000000002
TPSA？: 68.31
MolLogP？: 3.953400000000003
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | IC50 | 30000.0 | nM | 10.1021/acs.jnatprod.9b01181 |
| Escherichia coli | Escherichia coli | IC50 | 30000.0 | nM | 10.1021/acs.jnatprod.9b01181 |
| Homo sapiens | P-glycoprotein 1 | FC | 4.5 | None | 10.1021/acs.jnatprod.9b01181 |
| Homo sapiens | P-glycoprotein 1 | FC | 8.7 | None | 10.1021/acs.jnatprod.9b01181 |
| Homo sapiens | P-glycoprotein 1 | IC50 | 1100.0 | nM | 10.1021/acs.jmedchem.1c01989 |
| Homo sapiens | P-glycoprotein 1 | IC50 | 1100.0 | nM | 10.1021/acs.jnatprod.9b01181 |
| Homo sapiens | P-glycoprotein 1 | Ratio IC50 | 4.5 | None | 10.1021/acs.jmedchem.1c01989 |
| Homo sapiens | SW-620 | IC50 | 30000.0 | nM | 10.1021/acs.jnatprod.9b01181 |
| Homo sapiens | SW620/AD300 | Ratio IC50 | 0.7 | None | 10.1021/acs.jmedchem.1c01989 |
| Staphylococcus aureus | Staphylococcus aureus | IC50 | 30000.0 | nM | 10.1021/acs.jnatprod.9b01181 |
| None | Unchecked | IC50 | 30000.0 | nM | 10.1021/acs.jmedchem.1c01989 |
| None | Unchecked | Stability | nan | % | 10.1021/acs.jmedchem.1c01989 |