(2R,3aS,5aR,5bS,9R,13S,14R,16aS,16bR)-9-[(1E)-but-1-en-1-yl]-14-methyl-13-{[(2R,5S,6R)-6-methyl-5-(methylamino)oxan-2-yl]oxy}-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-indaceno
AlkaPlorer ID: AK156561
Synonym: None
IUPAC Name: (1S,2R,5S,7R,9R,10S,14R,15S,19R)-19-[(E)-but-1-enyl]-14-methyl-15-[(2R,5S,6R)-6-methyl-5-(methylamino)oxan-2-yl]oxy-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](NC)[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/C42H65NO10/c1-9-10-12-27-13-11-14-35(53-37-18-17-34(43-5)24(3)49-37)23(2)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(48-8)40(47-7)39(46-6)25(4)50-42/h10,12,15-16,21,23-32,34-35,37,39-43H,9,11,13-14,17-20,22H2,1-8H3/b12-10+/t23-,24-,25+,26-,27+,28-,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1
InChIKey: PLPACWPFDIMLBW-LRJYPLAYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Saccharopolyspora pogona | Saccharopolyspora | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 743.9790000000002
TPSA？: 120.01000000000003
MolLogP？: 5.701400000000007
Number of H-Donors: 1
Number of H-Acceptors: 11
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|