Roseotoxin B
AlkaPlorer ID: AK061836
Synonym: None
IUPAC Name: (3R,10S,13S,16S,19S,20S)-16-[(2S)-butan-2-yl]-10,11,14,20-tetramethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Structure
SMILES: C=CC[C@H]1OC(=O)CCN=C(O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H]([C@@H](C)CC)N=C(O)[C@@H]2[C@@H](C)CCN2C1=O
InChI: InChI=1S/C30H49N5O7/c1-10-12-21-28(39)35-16-14-19(6)25(35)27(38)32-23(18(5)11-2)29(40)34(9)24(17(3)4)30(41)33(8)20(7)26(37)31-15-13-22(36)42-21/h10,17-21,23-25H,1,11-16H2,2-9H3,(H,31,37)(H,32,38)/t18-,19-,20-,21+,23-,24-,25-/m0/s1
InChIKey: GZRXQMYGOOOMFR-KYUXFNSZSA-N
Reference
Structure and conformation of roseotoxin B
PubChem CID: 24039283
CAS: 55466-29-0
LOTUS: LTS0119652
SuperNatural Ⅲ: SN0119654-02
NPASS: NPC198792
{NPAtlas: NPA018524
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Beauveria felina | Beauveria | Cordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 591.75
TPSA？: 152.41
MolLogP？: 2.772600000000004
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aeromonas hydrophila | Aeromonas hydrophila | MIC | None | None | 10.1021/acs.jnatprod.5b00450 |
| 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 |
| None | NON-PROTEIN TARGET | IC50 | None | None | 10.1021/np400143j |