Dactylocycline A; 3A-O-Ac
AlkaPlorer ID: AK294259
Synonym: Dactylocycline D
IUPAC Name: [[6-[[9-carbamoyl-4-chloro-7-(dimethylamino)-1,6a,10,10a,12-pentahydroxy-3-methoxy-5-methyl-8,11-dioxo-6,7-dihydro-5aH-tetracen-5-yl]oxy]-3-methoxy-2,4-dimethyloxan-4-yl]amino] acetate
Structure
SMILES: COC1=CC(O)=C2C(=O)C3=C(O)C4(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C4(O)CC3C(C)(OC3CC(C)(NOC(C)=O)C(OC)C(C)O3)C2=C1Cl
InChI: InChI=1S/C33H42ClN3O14/c1-12-28(48-8)30(3,36-51-13(2)38)11-17(49-12)50-31(4)14-10-32(45)25(37(5)6)24(41)20(29(35)44)27(43)33(32,46)26(42)18(14)23(40)19-15(39)9-16(47-7)22(34)21(19)31/h9,12,14,17,25,28,36,39,41-42,45-46H,10-11H2,1-8H3,(H2,35,44)
InChIKey: ZTPDMLXIUOFULV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dactylosporangium sp. ATCC 53693 | Dactylosporangium | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 740.1590000000002
TPSA？: 256.86999999999995
MolLogP？: 0.5631000000000048
Number of H-Donors: 7
Number of H-Acceptors: 16
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|