Schizine A
AlkaPlorer ID: AK082296
Synonym: None
IUPAC Name: (1R,4S,7S,10S,19S)-4-benzyl-9,9-dimethyl-6,15,17-trioxa-3-azapentacyclo[11.5.1.01,10.02,7.016,19]nonadeca-2,12-diene-5,18-dione
Structure
SMILES: CC1(C)C[C@@H]2OC(=O)[C@H](CC3=CC=CC=C3)N=C2[C@@]23C(=O)OC4OCC(=CC[C@@H]12)[C@H]43
InChI: InChI=1S/C24H25NO5/c1-23(2)11-16-19(25-15(20(26)29-16)10-13-6-4-3-5-7-13)24-17(23)9-8-14-12-28-21(18(14)24)30-22(24)27/h3-8,15-18,21H,9-12H2,1-2H3/t15-,16-,17-,18+,21?,24+/m0/s1
InChIKey: RBSOENWVDSWYOE-ZNWKUMHUSA-N
Reference
Iminolactones from <i>Schizophyllum commune</i>
PubChem CID: 122179282
LOTUS: LTS0192907
NPASS: NPC472761
{NPAtlas: NPA007630
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Schizophyllum commune | Schizophyllum | Schizophyllaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 407.4660000000002
TPSA？: 74.19
MolLogP？: 2.8560000000000008
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MCF7 | IC50 | 4900.0 | nM | 10.1021/np500836y |
| Homo sapiens | PC-3 | IC50 | 14700.0 | nM | 10.1021/np500836y |
| Mus musculus | EL4 | IC50 | 3700.0 | nM | 10.1021/np500836y |
| None | ADMET | GI | 22.0 | % | 10.1021/np500836y |
| None | ADMET | GI | 30.0 | % | 10.1021/np500836y |
| None | ADMET | IC50 | 1230000.0 | nM | 10.1021/np500836y |