Milbemycins α29
AlkaPlorer ID: AK029453
Synonym: 'Milbemycins α29', 'milbemycin alpha29'
IUPAC Name: [(1R,3'R,4S,4'S,5'R,6S,6'R,8R,10Z,13R,14Z,16Z,20R,21R,24S)-4'-(2,4-dimethylpentanoyloxy)-3',21,24-trihydroxy-5',6',11,13-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-22-yl]methyl 1H-pyrrole-2-carboxylate
Structure
SMILES: C/C1=C/C[C@@H]2C[C@@H](C[C@]3(O2)O[C@H](C)[C@@H](C)[C@H](OC(=O)C(C)CC(C)C)[C@H]3O)OC(=O)[C@@H]2C=C(COC(=O)C3=CC=CN3)[C@@H](O)[C@H]3OC/C(=C/C=C\[C@H](C)C1)[C@]32O
InChI: InChI=1S/C43H59NO12/c1-23(2)16-26(5)39(47)54-36-27(6)28(7)55-42(37(36)46)20-32-19-31(56-42)14-13-25(4)17-24(3)10-8-11-30-22-51-38-35(45)29(18-33(40(48)53-32)43(30,38)50)21-52-41(49)34-12-9-15-44-34/h8-13,15,18,23-24,26-28,31-33,35-38,44-46,50H,14,16-17,19-22H2,1-7H3/b10-8-,25-13-,30-11-/t24-,26?,27+,28+,31+,32-,33-,35+,36-,37+,38+,42+,43+/m0/s1
InChIKey: XSHPBAFYEVNLOX-NLUCSBGGSA-N
Reference
Further New Milbemycin Antibiotics from Streptomyces bingchenggensis
PubChem CID: 139585491
LOTUS: LTS0264469
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces bingchenggensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 781.9400000000003
TPSA？: 183.07
MolLogP？: 4.874100000000006
Number of H-Donors: 4
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|