CHEBI:80047
AlkaPlorer ID: AK038662
Synonym: 'ECO-02301', 'CHEBI:80047'
IUPAC Name: (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E,38E,48E)-56-amino-15,17,33,35,37,41,43,45,47,51,53-undecahydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16,30-trimethyl-31-oxo-29-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexapentaconta-2,4,6,8,12,18,20,22,24,26,38,48-dodecaenamide
Structure
SMILES: CC(/C=C/CC/C=C/C=C/C=C/C=C/C(O)=NC1=C(O)CCC1=O)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/CC(O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(C)C(=O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CCCN
InChI: InChI=1S/C70H108N2O20/c1-46(27-20-16-12-8-5-6-11-15-19-23-35-64(86)72-65-60(83)36-37-61(65)84)66(87)48(3)59(82)33-21-17-13-9-7-10-14-18-22-34-63(92-70-69(90)68(89)67(88)49(4)91-70)47(2)62(85)45-58(81)44-57(80)42-53(76)31-25-30-52(75)41-56(79)43-55(78)40-51(74)29-24-28-50(73)39-54(77)32-26-38-71/h5-11,13-15,17-25,27,29,31,33,35,46-59,63,66-70,73-83,87-90H,12,16,26,28,30,32,34,36-45,71H2,1-4H3,(H,72,86)/b8-5+,9-7+,11-6+,14-10+,17-13+,19-15+,22-18+,27-20+,29-24+,31-25+,33-21+,35-23+/t46?,47?,48?,49-,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,63?,66?,67-,68+,69+,70-/m0/s1
InChIKey: NLVFTSADLUSKGV-TUEZCROESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces aizunensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1297.628000000001
TPSA？: 414.6600000000001
MolLogP？: 4.829900000000006
Number of H-Donors: 17
Number of H-Acceptors: 21
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus flavus | Aspergillus flavus | MIC | 8.0 | ug.mL-1 | 10.1021/np0401664 |
| Aspergillus fumigatus | Aspergillus fumigatus | MIC | 16.0 | ug.mL-1 | 10.1021/np0401664 |
| Candida albicans | Candida albicans | MIC | 4.0 | ug.mL-1 | 10.1021/np0401664 |
| Candida tropicalis | Candida tropicalis | MIC | 4.0 | ug.mL-1 | 10.1021/np0401664 |
| Clavispora lusitaniae | Clavispora lusitaniae | MIC | 4.0 | ug.mL-1 | 10.1021/np0401664 |
| Cryptococcus neoformans | Cryptococcus neoformans | MIC | 4.0 | ug.mL-1 | 10.1021/np0401664 |
| Nakaseomyces glabratus | Nakaseomyces glabratus | MIC | 4.0 | ug.mL-1 | 10.1021/np0401664 |
| Pichia kudriavzevii | Pichia kudriavzevii | MIC | 4.0 | ug.mL-1 | 10.1021/np0401664 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | 4.0 | ug.mL-1 | 10.1021/np0401664 |