Antibiotic 42D005alpha
AlkaPlorer ID: AK045795
Synonym: 'Pyrroindomycin A'
IUPAC Name: (1S,3R,6R,8R,9S,11S,14S,15S,19S,20S)-15-[(2R,5R,6R)-5-[(2R,4S,5R,6S)-5-[(2S,4R,5S,6R)-5-amino-4-(3,4-dihydropyrrolo[2,3-b]indole-2-carbonyloxy)-6-methyloxan-2-yl]oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-8-ethyl-9,21-dihydroxy-3,6,20-trimethyl-23,25-dioxo-24-azapentacyclo[20.2.1.01,6.011,20.014,19]pentacosa-4,12,21-triene-4-carboxylic acid
Structure
SMILES: CC[C@@H]1C[C@]2(C)C=C(C(=O)O)[C@H](C)C[C@]23N=C(O)C(=C3O)C(=O)[C@@]2(C)[C@H](C=C[C@@H]3[C@@H](O[C@H]4CC[C@@H](O[C@@H]5C[C@](C)(O)[C@H](O[C@H]6C[C@@H](OC(=O)C7=CC8=C(N7)NC7=CC=CC=C78)[C@@H](N)[C@@H](C)O6)[C@H](C)O5)[C@@H](C)O4)CCC[C@@H]32)C[C@@H]1O
InChI: InChI=1S/C60H80N4O15/c1-9-32-25-57(6)26-37(55(69)70)28(2)24-60(57)51(67)48(54(68)64-60)50(66)59(8)33(21-41(32)65)17-18-35-38(59)14-12-16-43(35)77-45-20-19-42(29(3)73-45)76-47-27-58(7,72)52(31(5)75-47)79-46-23-44(49(61)30(4)74-46)78-56(71)40-22-36-34-13-10-11-15-39(34)62-53(36)63-40/h10-11,13,15,17-18,22,26,28-33,35,38,41-47,49,52,62-63,65,67,72H,9,12,14,16,19-21,23-25,27,61H2,1-8H3,(H,64,68)(H,69,70)/t28-,29-,30-,31+,32-,33-,35+,38+,41+,42-,43+,44-,45+,46+,47-,49+,52-,57-,58+,59+,60-/m1/s1
InChIKey: UXFVAVUNDXIART-FXNIGKIZSA-N
Reference
LOTUS: LTS0150758
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces rugosporus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1097.313
TPSA？: 286.93
MolLogP？: 8.140000000000006
Number of H-Donors: 8
Number of H-Acceptors: 15
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|