Kijanimicin; 3E-Denitro, 3E-amino, 9-O-deglycosyl
AlkaPlorer ID: AK303602
Synonym: Lobophorin H
IUPAC Name: methyl N-[4-amino-6-[[17,23-dihydroxy-4-(hydroxymethyl)-3,8,12,18,20,22-hexamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy]-2,4-dimethyloxan-3-yl]carbamate
Structure
SMILES: COC(=O)NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C)C(CO)=CC4C=C2C)OC3=O)CC1(C)N
InChI: InChI=1S/C42H60N2O10/c1-20-10-13-30(53-31-18-40(7,43)35(25(6)52-31)44-39(50)51-9)21(2)15-27-16-26(19-45)24(5)17-42(27)37(48)32(38(49)54-42)36(47)41(8)29(20)12-11-28-33(41)22(3)14-23(4)34(28)46/h10-12,15-16,22-25,27-31,33-35,45-46,48H,13-14,17-19,43H2,1-9H3,(H,44,50)
InChIKey: ZNDPVCMQRUFBJL-UHFFFAOYSA-N
Reference
COCONUT: CNP0080896.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. 1053U.I.1a.3b | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 752.9459999999999
TPSA？: 186.87
MolLogP？: 4.957800000000003
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|