Bu 3608FA1
AlkaPlorer ID: AK081591
Synonym: 'Pradimicin FA 1'
IUPAC Name: (2R)-3-hydroxy-2-[[(5R,6R)-1,6,9,14-tetrahydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-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]2OC[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/C40H44N2O19/c1-11-5-17-24(31(50)21(11)37(54)42-18(9-43)38(55)56)23-15(8-16-25(32(23)51)28(47)14-6-13(57-4)7-19(44)22(14)27(16)46)29(48)35(17)60-40-34(53)36(26(41-3)12(2)59-40)61-39-33(52)30(49)20(45)10-58-39/h5-8,12,18,20,26,29-30,33-36,39-41,43-45,48-53H,9-10H2,1-4H3,(H,42,54)(H,55,56)/t12-,18+,20+,26-,29+,30+,33+,34+,35+,36-,39+,40-/m0/s1
InChIKey: SFXVRNRSRKABOY-VJPRYNFFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinomadura hibisca | Actinomadura | Thermomonosporaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 856.7870000000001
TPSA？: 344.28000000000003
MolLogP？: -1.0644799999999952
Number of H-Donors: 12
Number of H-Acceptors: 19
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|