Azaspiracid 1; 39-Demethyl, 3R-hydroxy, 7,8-dihydro
AlkaPlorer ID: AK289956
Synonym: Azaspiracid 37
IUPAC Name: None
Structure
SMILES: C=C(CC12CC(C)CC(O1)C1OC3(CC1O2)NCCCC3C)C1OC(O)(C(O)C2CC3OC4(CCC5(CCCC(/C=C/C(O)CC(=O)O)O5)O4)C(C)CC3O2)C(C)CC1C
InChI: InChI=1S/C46H71NO13/c1-25-17-35-40-37(24-44(58-40)28(4)9-8-16-47-44)56-43(22-25,55-35)23-27(3)39-26(2)18-30(6)46(52,59-39)41(51)36-21-34-33(53-36)19-29(5)45(57-34)15-14-42(60-45)13-7-10-32(54-42)12-11-31(48)20-38(49)50/h11-12,25-26,28-37,39-41,47-48,51-52H,3,7-10,13-24H2,1-2,4-6H3,(H,49,50)/b12-11+
InChIKey: JTWLYINFPFDKLX-VAWYXSNFSA-N
Reference
CAS: 2222919-76-6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Azadinium poporum | Azadinium | Amphidomataceae | Gonyaulacales | Dinophyceae | None | None | Eukaryota |
Properties Information
Molecule Weight: 846.0680000000001
TPSA？: 183.86
MolLogP？: 5.204600000000005
Number of H-Donors: 5
Number of H-Acceptors: 13
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|