Dactylocycline A
AlkaPlorer ID: AK050330
Synonym: None
IUPAC Name: (4S,4aR,5aS,6R,12aS)-7-chloro-4-(dimethylamino)-1,4a,10,11,12a-pentahydroxy-6-[(2S,4S,5R,6S)-4-(hydroxyamino)-5-methoxy-4,6-dimethyloxan-2-yl]oxy-8-methoxy-6-methyl-3,12-dioxo-5,5a-dihydro-4H-tetracene-2-carboxamide
Structure
SMILES: COC1=CC(O)=C2C(O)=C3C(=O)[C@]4(O)C(O)=C(C(=N)O)C(=O)[C@@H](N(C)C)[C@]4(O)C[C@@H]3[C@@](C)(O[C@H]3C[C@](C)(NO)[C@@H](OC)[C@H](C)O3)C2=C1Cl
InChI: InChI=1S/C31H40ClN3O13/c1-11-26(46-7)28(2,34-44)10-15(47-11)48-29(3)12-9-30(42)23(35(4)5)22(38)18(27(33)41)25(40)31(30,43)24(39)16(12)21(37)17-13(36)8-14(45-6)20(32)19(17)29/h8,11-12,15,23,26,34,36-37,40,42-44H,9-10H2,1-7H3,(H2,33,41)/t11-,12-,15-,23+,26-,28-,29+,30+,31-/m0/s1
InChIKey: TUXHICHKDSJQIG-XKPXZWBCSA-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: 698.1220000000002
TPSA？: 251.79
MolLogP？: 1.3675700000000024
Number of H-Donors: 9
Number of H-Acceptors: 15
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|