(2R,3aS,5aR,5bS,9R,13S,14R,16aS,16bR)-9-[(1E)-but-1-en-1-yl]-13-{[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-14-methyl-2-{[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}-1H,2H,3H,3aH,5aH,5bH,6H,9H,10H,11H,12H,13H,14H,16aH,16bH-as-indace
AlkaPlorer ID: AK053352
Synonym: None
IUPAC Name: (1S,2R,5S,7R,9R,10S,14R,15S,19R)-19-[(E)-but-1-enyl]-15-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-14-methyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
Structure
SMILES: CC/C=C/[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1
InChI: InChI=1S/C43H67NO10/c1-10-11-13-28-14-12-15-36(54-38-19-18-35(44(5)6)25(3)50-38)24(2)39(46)34-22-32-30(33(34)23-37(45)52-28)17-16-27-20-29(21-31(27)32)53-43-42(49-9)41(48-8)40(47-7)26(4)51-43/h11,13,16-17,22,24-33,35-36,38,40-43H,10,12,14-15,18-21,23H2,1-9H3/b13-11+/t24-,25+,26+,27-,28+,29-,30-,31-,32-,33+,35+,36+,38+,40+,41-,42-,43+/m1/s1
InChIKey: PSZVHARKADLXMU-JBLNIFBKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Saccharopolyspora pogona | Saccharopolyspora | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 758.0060000000001
TPSA？: 111.22
MolLogP？: 6.043600000000007
Number of H-Donors: 0
Number of H-Acceptors: 11
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|