Pinnatoxin D; 36S-Alcohol, 39→36-lactone
AlkaPlorer ID: AK310468
Synonym: Pinnatoxin F
IUPAC Name: 5-(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)oxolan-2-one
Structure
SMILES: C=C1CCCC2=NCC(C)C(C)CC23CCC(C2CCC(=O)O2)=CC3C2OC3(CC(C)CC2O3)CC2OC3(CCC4(OC(CCC4(C)O)C1)O3)CC(C)C2O
InChI: InChI=1S/C45H67NO9/c1-26-8-7-9-37-42(22-28(3)30(5)25-46-37)15-12-31(34-10-11-38(47)50-34)20-33(42)40-35-19-27(2)21-44(52-35,54-40)24-36-39(48)29(4)23-43(53-36)16-17-45(55-43)41(6,49)14-13-32(18-26)51-45/h20,27-30,32-36,39-40,48-49H,1,7-19,21-25H2,2-6H3
InChIKey: KMYKHQRQBUANHP-UHFFFAOYSA-N
Reference
CAS: 1227167-70-5
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: 766.029
TPSA？: 125.27000000000002
MolLogP？: 7.481100000000011
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|