Azaspiracid-33
AlkaPlorer ID: AK122021
Synonym: None
IUPAC Name: (4E,8E)-10-[(2S,5S)-5-[(R)-hydroxy-[(2R,3R,5S,6S)-2-hydroxy-3,5-dimethyl-6-[3-[(1R,2R,3'S,4S,5'R,6R,8S,10S)-3',5',10-trimethylspiro[3,7,12-trioxatricyclo[6.3.1.02,6]dodecane-4,2'-piperidine]-8-yl]prop-1-en-2-yl]oxan-2-yl]methyl]oxolan-2-yl]deca-4,8-dienoic acid
Structure
SMILES: C=C(C[C@@]12C[C@@H](C)C[C@@H](O1)[C@H]1O[C@]3(C[C@H]1O2)NC[C@H](C)C[C@@H]3C)[C@H]1O[C@@](O)([C@H](O)[C@@H]2CC[C@@H](C/C=C/CC/C=C/CCC(=O)O)O2)[C@H](C)C[C@@H]1C
InChI: InChI=1S/C41H65NO9/c1-25-19-33-37-34(23-40(50-37)29(5)18-26(2)24-42-40)49-39(21-25,48-33)22-28(4)36-27(3)20-30(6)41(46,51-36)38(45)32-17-16-31(47-32)14-12-10-8-7-9-11-13-15-35(43)44/h9-12,25-27,29-34,36-38,42,45-46H,4,7-8,13-24H2,1-3,5-6H3,(H,43,44)/b11-9+,12-10+/t25-,26+,27-,29-,30+,31+,32-,33+,34+,36-,37+,38+,39-,40-,41+/m0/s1
InChIKey: UVQNAVZXOLGVBU-DWCVYGDVSA-N
Reference
A gene cluster from Streptomyces galilaeus involved in glycosylation of aclarubicin
PubChem CID: 118723287
NPASS: NPC480507
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Azadinium spinosum | Azadinium | Amphidomataceae | Gonyaulacales | Dinophyceae | None | None | Eukaryota |
| Azadinium spinosum | Azadinium | Amphidomataceae | Gonyaulacales | Dinophyceae | None | None | Eukaryota |
Properties Information
Molecule Weight: 715.9689999999999
TPSA？: 135.94000000000003
MolLogP？: 6.399300000000006
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | EC50 | 3300.0 | nM | 10.1021/np500555k |
| None | NON-PROTEIN TARGET | EC50 | 5900.0 | nM | 10.1021/np500555k |
| None | NON-PROTEIN TARGET | EC50 | 6400.0 | nM | 10.1021/np500555k |