Tyroscherin
AlkaPlorer ID: AK034792
Synonym: None
IUPAC Name: 4-[(E,2R,3R,8S,10S)-3-hydroxy-8,10-dimethyl-2-(methylamino)dodec-6-enyl]phenol
Structure
SMILES: CC[C@H](C)C[C@H](C)/C=C/CC[C@@H](O)[C@@H](CC1=CC=C(O)C=C1)NC
InChI: InChI=1S/C21H35NO2/c1-5-16(2)14-17(3)8-6-7-9-21(24)20(22-4)15-18-10-12-19(23)13-11-18/h6,8,10-13,16-17,20-24H,5,7,9,14-15H2,1-4H3/b8-6+/t16-,17+,20+,21+/m0/s1
InChIKey: RNCWKUCWPBNWOH-RJCOHJNNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudallescheria sp. | Pseudallescheria | Microascaceae | Microascales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 333.516
TPSA？: 52.49
MolLogP？: 4.292300000000004
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MCF7 | IC50 | 2070.0 | nM | 10.1016/j.bmc.2011.01.027 |
| Homo sapiens | MCF7 | IC50 | 2270.0 | nM | 10.1016/j.bmc.2011.01.027 |
| Homo sapiens | MCF7 | IC50 | 4600.0 | nM | 10.1016/j.bmc.2011.01.027 |