Isaridin B
AlkaPlorer ID: AK057489
Synonym: None
IUPAC Name: (3S,10S,13S,16S,19S,20S)-10,16-dibenzyl-11,14,20-trimethyl-3-(2-methylpropyl)-13-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)C[C@@H]1OC(=O)CCN=C(O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H]2[C@@H](C)CCN2C1=O
InChI: InChI=1S/C40H55N5O7/c1-25(2)22-32-39(50)45-21-19-27(5)35(45)37(48)42-30(23-28-14-10-8-11-15-28)38(49)44(7)34(26(3)4)40(51)43(6)31(24-29-16-12-9-13-17-29)36(47)41-20-18-33(46)52-32/h8-17,25-27,30-32,34-35H,18-24H2,1-7H3,(H,41,47)(H,42,48)/t27-,30-,31-,32-,34-,35-/m0/s1
InChIKey: CYKMKVMZXCFAKS-GPUGIWAMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Isaria sp. | Isaria | Cordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 717.908
TPSA？: 152.41
MolLogP？: 4.662000000000004
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aeromonas hydrophila | Aeromonas hydrophila | MIC | None | None | 10.1021/acs.jnatprod.5b00450 |
| Artemia salina | Artemia salina | Activity | None | None | 10.1021/np4011037 |
| Edwardsiella tarda | Edwardsiella tarda | MIC | None | None | 10.1021/acs.jnatprod.5b00450 |
| Vibrio alginolyticus | Vibrio alginolyticus | MIC | None | None | 10.1021/acs.jnatprod.5b00450 |
| Vibrio anguillarum | Vibrio anguillarum | MIC | None | None | 10.1021/acs.jnatprod.5b00450 |
| Vibrio harveyi | Vibrio harveyi | MIC | None | None | 10.1021/acs.jnatprod.5b00450 |
| Vibrio parahaemolyticus | Vibrio parahaemolyticus | MIC | None | None | 10.1021/acs.jnatprod.5b00450 |