Aridicin; Aridicin C2, 6A-Alcohol
AlkaPlorer ID: AK289258
Synonym: Kibdelin C2
IUPAC Name: 5,15,32,65-tetrachloro-64-[3-(dodecanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)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: CCCCCCCCCCCC(=O)NC1C(OC2=C3C=C4C=C2OC2=C(Cl)C=C(C=C2Cl)C(O)C2NC(=O)C(NC(=O)C4NC(=O)C4NC(=O)C(NC(=O)C(NC)C5=CC=C(O)C(=C5)OC5=CC(O)=C(Cl)C4=C5)C(O)C4=CC=C(O3)C(Cl)=C4)C3=CC=C(O)C(=C3)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C(=O)O)NC2=O)OC(CO)C(O)C1O
InChI: InChI=1S/C83H88Cl4N8O29/c1-3-4-5-6-7-8-9-10-11-12-55(102)89-65-70(107)68(105)53(30-96)122-82(65)124-74-51-24-35-25-52(74)120-73-43(85)21-36(22-44(73)86)67(104)64-80(115)93-62(81(116)117)40-26-37(98)27-50(121-83-72(109)71(108)69(106)54(31-97)123-83)56(40)39-19-32(13-16-45(39)99)59(76(111)95-64)90-77(112)60(35)91-78(113)61-41-28-38(29-47(101)57(41)87)118-49-23-33(14-17-46(49)100)58(88-2)75(110)94-63(79(114)92-61)66(103)34-15-18-48(119-51)42(84)20-34/h13-29,53-54,58-72,82-83,88,96-101,103-109H,3-12,30-31H2,1-2H3,(H,89,102)(H,90,112)(H,91,113)(H,92,114)(H,93,115)(H,94,110)(H,95,111)(H,116,117)
InChIKey: GWYRZMPGANUJTA-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kibdelosporangium aridum | Kibdelosporangium | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1803.4560000000008
TPSA？: 580.6300000000002
MolLogP？: 5.034200000000012
Number of H-Donors: 22
Number of H-Acceptors: 29
RingCount: 15
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|