Isaridin E
AlkaPlorer ID: AK030506
Synonym: None
IUPAC Name: (10S,13S,16S,19S)-16-benzyl-11,14-dimethyl-3-(2-methylpropyl)-10,13-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Structure
SMILES: CC(C)CC1OC(=O)CCN=C(O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C35H53N5O7/c1-21(2)19-27-34(45)40-18-12-15-26(40)31(42)37-25(20-24-13-10-9-11-14-24)33(44)39(8)30(23(5)6)35(46)38(7)29(22(3)4)32(43)36-17-16-28(41)47-27/h9-11,13-14,21-23,25-27,29-30H,12,15-20H2,1-8H3,(H,36,43)(H,37,42)/t25-,26-,27?,29-,30-/m0/s1
InChIKey: RTZWJENDDHDLIV-UTKDJJAFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Beauveria felina | Beauveria | Cordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 655.837
TPSA？: 152.41
MolLogP？: 3.829300000000005
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Callosobruchus maculatus | Callosobruchus maculatus | LD50 | 220.0 | ug ml-1 | 10.1021/np100890n |
| Sitophilus | Sitophilus | LD50 | 300.0 | ug ml-1 | 10.1021/np100890n |
| None | ADMET | Activity | nan | None | 10.1021/np400143j |
| None | NON-PROTEIN TARGET | IC50 | 12210.0 | nM | 10.1021/np400143j |
| None | NON-PROTEIN TARGET | IC50 | 12760.0 | nM | 10.1021/np400143j |