None
AlkaPlorer ID: AK324470
Synonym: None
IUPAC Name: (3S,6S,9S,12S,15S)-3,6-dibenzyl-9,15-bis(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclopentadecane-2,5,8,11,14-pentone
Structure
SMILES: CC(C)C[C@@H]1N=C(O)[C@H](C(C)C)N=C(O)[C@H](CC(C)C)OC(=O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CC2=CC=CC=C2)N=C1O
InChI: InChI=1S/C35H48N4O6/c1-21(2)17-26-31(40)36-27(19-24-13-9-7-10-14-24)32(41)38-28(20-25-15-11-8-12-16-25)35(44)45-29(18-22(3)4)33(42)39-30(23(5)6)34(43)37-26/h7-16,21-23,26-30H,17-20H2,1-6H3,(H,36,40)(H,37,43)(H,38,41)(H,39,42)/t26-,27-,28-,29-,30-/m0/s1
InChIKey: MYXGRELDMLDHFS-IIZANFQQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fusarium sp. TAMA 456 | Fusarium | Nectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 620.7910000000003
TPSA？: 156.66
MolLogP？: 6.445800000000006
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Peroxisome proliferator-activated receptor gamma | Activity | nan | None | 10.1021/np501047a |
| None | Molecular identity unknown | FC | 5.2 | None | 10.1021/np501047a |
| None | Unchecked | Activity | nan | None | 10.1021/np501047a |