Chrysosporazine I
AlkaPlorer ID: AK124643
Synonym: None
IUPAC Name: (3S,3'S,7R,8R,8aS)-2-acetyl-8-(7-methoxy-1,3-benzodioxol-5-yl)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3'-phenylspiro[3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-7,2'-oxirane]-6-one
Structure
SMILES: COC1=CC(C[C@H]2CN3C(=O)[C@@]4(O[C@H]4C4=CC=CC=C4)[C@H](C4=CC(OC)=C5OCOC5=C4)[C@H]3CN2C(C)=O)=CC2=C1OCO2
InChI: InChI=1S/C33H32N2O9/c1-18(36)34-15-23-28(21-12-25(39-3)30-27(13-21)41-17-43-30)33(31(44-33)20-7-5-4-6-8-20)32(37)35(23)14-22(34)9-19-10-24(38-2)29-26(11-19)40-16-42-29/h4-8,10-13,22-23,28,31H,9,14-17H2,1-3H3/t22-,23+,28+,31-,33+/m0/s1
InChIKey: IKMTWSYMQMGXCQ-HGSJAIJISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chrysosporium sp. | Chrysosporium | Onygenaceae | Onygenales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 600.6240000000003
TPSA？: 108.53
MolLogP？: 3.439300000000002
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 8
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 | nan | None | 10.1021/acs.jnatprod.9b01181 |
| Homo sapiens | P-glycoprotein 1 | IC50 | 30000.0 | nM | 10.1021/acs.jmedchem.1c01989 |
| Homo sapiens | P-glycoprotein 1 | IC50 | 30000.0 | nM | 10.1021/acs.jnatprod.9b01181 |
| Homo sapiens | SW-620 | IC50 | 30000.0 | nM | 10.1021/acs.jnatprod.9b01181 |
| Staphylococcus aureus | Staphylococcus aureus | IC50 | 30000.0 | nM | 10.1021/acs.jnatprod.9b01181 |
| None | Unchecked | IC50 | 30000.0 | nM | 10.1021/acs.jmedchem.1c01989 |