Dynemicin A
AlkaPlorer ID: AK014970
Synonym: '(+)-Dynemicin A', 'BU 3420T', 'Dynemicin A'
IUPAC Name: (2R,4S,5S,8S,11Z)-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(NC3C#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-CWSCUYGGSA-N
Reference
Biosynthesis of dynemicin A, a 3-ene-1,5-diyne antitumor antibiotic
PubChem CID: 5281927
LOTUS: LTS0119184
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Micromonospora chersina | Micromonospora | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
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 |
|---|