Pinnatoxin D; 36S-Alcohol
AlkaPlorer ID: AK310467
Synonym: Pinnatoxin E
IUPAC Name: 4-(4,11-dihydroxy-5,11,23,24,35-pentamethyl-16-methylidene-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26.026,31]hentetraconta-20,29-dien-29-yl)-4-hydroxybutanoic acid
Structure
SMILES: C=C1CCCC2=NCC(C)C(C)CC23CCC(C(O)CCC(=O)O)=CC3C2OC3(CC(C)CC2O3)CC2OC3(CCC4(OC(CCC4(C)O)C1)O3)CC(C)C2O
InChI: InChI=1S/C45H69NO10/c1-26-8-7-9-37-42(22-28(3)30(5)25-46-37)15-12-31(34(47)10-11-38(48)49)20-33(42)40-35-19-27(2)21-44(53-35,55-40)24-36-39(50)29(4)23-43(54-36)16-17-45(56-43)41(6,51)14-13-32(18-26)52-45/h20,27-30,32-36,39-40,47,50-51H,1,7-19,21-25H2,2-6H3,(H,48,49)
InChIKey: UHUWABBDQXWCRL-UHFFFAOYSA-N
Reference
CAS: 1227167-69-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crassostrea gigas | Crassostrea | Ostreidae | Ostreida | Bivalvia | Mollusca | Metazoa | Eukaryota |
| Vulcanodinium rugosum | Vulcanodinium | None | Peridiniales | Dinophyceae | None | None | Eukaryota |
Properties Information
Molecule Weight: 784.044
TPSA？: 156.5
MolLogP？: 7.00120000000001
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|