Chrysosporazine F
AlkaPlorer ID: AK124627
Synonym: None
IUPAC Name: (2R,3S,6S,10R,11S)-5-acetyl-13-methoxy-6-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-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=CC(C[C@H]2CN3C(=O)[C@@H]4[C@@H](C5=CC=CC=C5)C5=C(OC)C6=C(C=C5[C@@H]4[C@H]3CN2C(C)=O)OCO6)=CC2=C1OCO2
InChI: InChI=1S/C33H32N2O8/c1-17(36)34-14-22-27-21-12-25-31(43-16-41-25)32(39-3)28(21)26(19-7-5-4-6-8-19)29(27)33(37)35(22)13-20(34)9-18-10-23(38-2)30-24(11-18)40-15-42-30/h4-8,10-12,20,22,26-27,29H,9,13-16H2,1-3H3/t20-,22+,26-,27+,29+/m0/s1
InChIKey: BYKOTIQEKORHBL-ORFWNXNQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chrysosporium sp. | Chrysosporium | Onygenaceae | Onygenales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 584.6250000000003
TPSA？: 96.0
MolLogP？: 3.6907000000000014
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | P-glycoprotein 1 | IC50 | 350.0 | nM | 10.1021/acs.jmedchem.1c01989 |
| Homo sapiens | P-glycoprotein 1 | Ratio IC50 | 14.0 | None | 10.1021/acs.jmedchem.1c01989 |
| Homo sapiens | SW620/AD300 | Ratio IC50 | 2.3 | None | 10.1021/acs.jmedchem.1c01989 |
| None | Unchecked | IC50 | 30000.0 | nM | 10.1021/acs.jmedchem.1c01989 |
| None | Unchecked | Stability | nan | % | 10.1021/acs.jmedchem.1c01989 |