Pradimicin E
AlkaPlorer ID: AK043092
Synonym: 'Pradimicin E', 'BU 3608E'
IUPAC Name: 2-[[(5S,6R)-5-[(2S,3R,4S,5S,6S)-5-amino-3-hydroxy-6-methyl-4-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid
Structure
SMILES: COC1=CC(O)=C2C(=O)C3=CC4=C(C(O)=C3C(=O)C2=C1)C1=C(O)C(C(O)=NCC(=O)O)=C(C)C=C1[C@H](O[C@@H]1O[C@@H](C)[C@H](N)[C@H](O[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@H]1O)[C@@H]4O
InChI: InChI=1S/C38H40N2O18/c1-10-4-16-23(30(49)20(10)36(53)40-8-19(43)44)22-14(7-15-24(31(22)50)27(46)13-5-12(54-3)6-17(41)21(13)26(15)45)28(47)34(16)57-38-33(52)35(25(39)11(2)56-38)58-37-32(51)29(48)18(42)9-55-37/h4-7,11,18,25,28-29,32-35,37-38,41-42,47-52H,8-9,39H2,1-3H3,(H,40,53)(H,43,44)/t11-,18+,25-,28+,29+,32+,33+,34-,35-,37+,38-/m0/s1
InChIKey: HELMFNXPQUQJFY-ZJGAXKGTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinomadura hibisca | Actinomadura | Thermomonosporaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 812.7340000000005
TPSA？: 338.0400000000001
MolLogP？: -0.6860799999999996
Number of H-Donors: 11
Number of H-Acceptors: 18
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|