Jadomycin DNV
AlkaPlorer ID: AK006113
Synonym: 'Jadomycin DNV', 'jadomycin DNV'
IUPAC Name: 19-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-9-methyl-3-propyl-5-oxa-2-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),7(12),8,10,15(20),16,18-heptaene-4,14,21-trione
Structure
SMILES: CCCC1C(=O)OC2C3=C(C4=C(C(=O)C5=C(C=CC=C5O[C@H]5C[C@@H](O)[C@@H](O)[C@H](C)O5)C4=O)N12)C(O)=CC(C)=C3
InChI: InChI=1S/C29H29NO9/c1-4-6-16-29(36)39-28-15-9-12(2)10-17(31)21(15)23-24(30(16)28)27(35)22-14(26(23)34)7-5-8-19(22)38-20-11-18(32)25(33)13(3)37-20/h5,7-10,13,16,18,20,25,28,31-33H,4,6,11H2,1-3H3/t13-,16?,18+,20-,25-,28?/m0/s1
InChIKey: UISVOFCCNUPNLI-YBHVUHJDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces venezuelae | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 535.5490000000002
TPSA？: 142.83
MolLogP？: 2.766120000000001
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | GI50 | 4790.0 | nM | 10.1021/acs.jnatprod.5b00277 |
| None | NON-PROTEIN TARGET | LC50 | 19000.0 | nM | 10.1021/acs.jnatprod.5b00277 |
| None | NON-PROTEIN TARGET | TGI | 10000.0 | nM | 10.1021/acs.jnatprod.5b00277 |