None
AlkaPlorer ID: AK324469
Synonym: None
IUPAC Name: (3S,6S,9S,12S,15S)-3,6-dibenzyl-10-methyl-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]1OC(=O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N=C1O
InChI: InChI=1S/C36H50N4O6/c1-22(2)18-29-33(42)37-27(20-25-14-10-8-11-15-25)32(41)38-28(21-26-16-12-9-13-17-26)36(45)46-30(19-23(3)4)34(43)39-31(24(5)6)35(44)40(29)7/h8-17,22-24,27-31H,18-21H2,1-7H3,(H,37,42)(H,38,41)(H,39,43)/t27-,28-,29-,30-,31-/m0/s1
InChIKey: BQNADOPEWBCMKM-QKUYTOGTSA-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: 634.8180000000002
TPSA？: 144.38
MolLogP？: 5.9477000000000055
Number of H-Donors: 3
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 | 13.3 | None | 10.1021/np501047a |
| None | Unchecked | Activity | nan | None | 10.1021/np501047a |