Pradimicin FL
AlkaPlorer ID: AK132875
Synonym: None
IUPAC Name: (2S)-3-hydroxy-2-[[(5S,6S)-1,6,9,14-tetrahydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
Structure
SMILES: CN[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O[C@H]2C3=CC(C)=C(C(O)=N[C@@H](CO)C(=O)O)C(O)=C3C3=C(O)C4=C(C=C3[C@@H]2O)C(=O)C2=C(O)C=C(OC)C=C2C4=O)O[C@@H]1C
InChI: InChI=1S/C41H46N2O20/c1-11-5-17-24(31(51)21(11)38(56)43-18(9-44)39(57)58)23-15(8-16-25(32(23)52)28(48)14-6-13(59-4)7-19(46)22(14)27(16)47)29(49)36(17)62-41-35(55)37(26(42-3)12(2)60-41)63-40-34(54)33(53)30(50)20(10-45)61-40/h5-8,12,18,20,26,29-30,33-37,40-42,44-46,49-55H,9-10H2,1-4H3,(H,43,56)(H,57,58)/t12-,18+,20-,26+,29+,30+,33+,34-,35-,36+,37+,40+,41+/m1/s1
InChIKey: OCMFGTQYTXVJRJ-SUZGDMLVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinomadura verrucosospora | Actinomadura | Thermomonosporaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 886.8130000000002
TPSA？: 364.51
MolLogP？: -1.7035799999999923
Number of H-Donors: 13
Number of H-Acceptors: 20
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|