Aridicin; Aridicin B, 6A-Alcohol
AlkaPlorer ID: AK289255
Synonym: Kibdelin B, AAD 609B, Antibiotic AAD 609B
IUPAC Name: 5,15,32,65-tetrachloro-64-[4,5-dihydroxy-6-(hydroxymethyl)-3-(9-methyldecanoylamino)oxan-2-yl]oxy-2,18,26,31,44,49-hexahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-47-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
Structure
SMILES: CNC1C(=O)NC2C(=O)NC(C(=O)NC3C(=O)NC4C(=O)NC(C(=O)NC(C(=O)O)C5=CC(O)=CC(OC6OC(CO)C(O)C(O)C6O)=C5C5=CC4=CC=C5O)C(O)C4=CC(Cl)=C(OC5=C(OC6OC(CO)C(O)C(O)C6NC(=O)CCCCCCCC(C)C)C(=CC3=C5)OC3=CC=C(C=C3Cl)C2O)C(Cl)=C4)C2=CC(=CC(O)=C2Cl)OC2=CC1=CC=C2O
InChI: InChI=1S/C82H86Cl4N8O29/c1-30(2)9-7-5-4-6-8-10-54(101)88-64-69(106)67(104)52(28-95)121-81(64)123-73-50-22-34-23-51(73)119-72-42(84)19-35(20-43(72)85)66(103)63-79(114)92-61(80(115)116)39-24-36(97)25-49(120-82-71(108)70(107)68(105)53(29-96)122-82)55(39)38-17-31(11-14-44(38)98)58(75(110)94-63)89-76(111)59(34)90-77(112)60-40-26-37(27-46(100)56(40)86)117-48-21-32(12-15-45(48)99)57(87-3)74(109)93-62(78(113)91-60)65(102)33-13-16-47(118-50)41(83)18-33/h11-27,30,52-53,57-71,81-82,87,95-100,102-108H,4-10,28-29H2,1-3H3,(H,88,101)(H,89,111)(H,90,112)(H,91,113)(H,92,114)(H,93,109)(H,94,110)(H,115,116)
InChIKey: CZURRSIMAOVBRP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kibdelosporangium aridum | Kibdelosporangium | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1789.4290000000003
TPSA？: 580.6300000000002
MolLogP？: 4.500000000000001
Number of H-Donors: 22
Number of H-Acceptors: 29
RingCount: 15
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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