Azaspiracid 1; 39-Demethyl, 8ξ-methyl, 3R-hydroxy
AlkaPlorer ID: AK128739
Synonym: Azaspiracid 36
IUPAC Name: None
Structure
SMILES: C=C(CC12CC(C)CC(O1)C1OC3(CC1O2)NCCCC3C)C1OC(O)(C(O)C2CC3OC4(CCC5(CC(C)=CC(C=CC(O)CC(=O)O)O5)O4)C(C)CC3O2)C(C)CC1C
InChI: InChI=1S/C47H71NO13/c1-25-15-33(11-10-32(49)19-39(50)51)55-43(21-25)12-13-46(61-43)30(6)18-34-35(58-46)20-37(54-34)42(52)47(53)31(7)17-27(3)40(60-47)28(4)23-44-22-26(2)16-36(56-44)41-38(57-44)24-45(59-41)29(5)9-8-14-48-45/h10-11,15,26-27,29-38,40-42,48-49,52-53H,4,8-9,12-14,16-24H2,1-3,5-7H3,(H,50,51)
InChIKey: PIXVICDJWACCPW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Azadinium poporum | Azadinium | Amphidomataceae | Gonyaulacales | Dinophyceae | None | None | Eukaryota |
Properties Information
Molecule Weight: 858.0790000000002
TPSA？: 183.86
MolLogP？: 5.370700000000006
Number of H-Donors: 5
Number of H-Acceptors: 13
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|