Dynemicin A
AlkaPlorer ID: AK014969
Synonym: None
IUPAC Name: (2R,4S,5S,8R,11Z,15S)-21,24,28-trihydroxy-7-methoxy-5-methyl-19,26-dioxo-3-oxa-16-azaheptacyclo[15.12.0.02,4.02,8.04,15.018,27.020,25]nonacosa-1(29),6,11,17,20,22,24,27-octaen-9,13-diyne-6-carboxylic acid
Structure
SMILES: COC1=C(C(=O)O)[C@H](C)[C@@]23O[C@]24C2=C(N[C@H]3C#C/C=C\C#C[C@H]14)C1=C(C(=O)C3=C(O)C=CC(O)=C3C1=O)C(O)=C2
InChI: InChI=1S/C30H19NO9/c1-12-19(28(37)38)27(39-2)13-7-5-3-4-6-8-18-29(12)30(13,40-29)14-11-17(34)22-23(24(14)31-18)26(36)21-16(33)10-9-15(32)20(21)25(22)35/h3-4,9-13,18,31-34H,1-2H3,(H,37,38)/b4-3-/t12-,13+,18-,29-,30+/m0/s1
InChIKey: AFMYMMXSQGUCBK-AKMKHHNQSA-N
Reference
Dynemicin A, a novel antibiotic with the anthraquinone and 1,5-diyn-3-ene subunit.
PubChem CID: 10030135
CAS: 124412-57-3
LOTUS: LTS0012657
SuperNatural Ⅲ: SN0004300-07
{NPAtlas: NPA000412
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Chersina | Testudinidae | Testudines | None | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 537.4800000000004
TPSA？: 165.92
MolLogP？: 2.1648000000000005
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 0.00016 | ug.mL-1 | 10.1021/np300380t |
| Candida albicans | Candida albicans | MIC | 0.156 | ug.mL-1 | 10.1021/np300380t |
| Escherichia coli | Escherichia coli | MIC | 0.313 | ug.mL-1 | 10.1021/np300380t |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | 0.156 | ug.mL-1 | 10.1021/np300380t |