None
AlkaPlorer ID: AK324471
Synonym: None
IUPAC Name: (3S,6S,9S,12S,15S)-3-benzyl-6-(1H-indol-3-ylmethyl)-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=CNC3=CC=CC=C23)N=C(O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N=C1O
InChI: InChI=1S/C38H51N5O6/c1-22(2)17-31-35(45)40-29(20-26-21-39-28-16-12-11-15-27(26)28)34(44)41-30(19-25-13-9-8-10-14-25)38(48)49-32(18-23(3)4)36(46)42-33(24(5)6)37(47)43(31)7/h8-16,21-24,29-33,39H,17-20H2,1-7H3,(H,40,45)(H,41,44)(H,42,46)/t29-,30-,31-,32-,33-/m0/s1
InChIKey: ZRSHGGLTDIRICZ-ZTTXAYQISA-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: 673.855
TPSA？: 160.17
MolLogP？: 6.429000000000006
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 4
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 | 10.0 | None | 10.1021/np501047a |
| None | Unchecked | Activity | nan | None | 10.1021/np501047a |