Pinnatoxin A
AlkaPlorer ID: AK310464
Synonym: None
IUPAC Name: 11,34-dihydroxy-11,23,24,35-tetramethyl-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-diene-29-carboxylic acid
Structure
SMILES: C=C1CCCC2=NCC(C)C(C)CC23CCC(C(=O)O)=CC3C2OC3(CC4CCCC5(CCC6(OC(CCC6(C)O)C1)O5)O4)CC(C)C(O)C2O3
InChI: InChI=1S/C41H61NO9/c1-24-8-6-10-32-38(20-25(2)27(4)23-42-32)15-11-28(36(44)45)19-31(38)34-35-33(43)26(3)21-40(49-34,50-35)22-30-9-7-13-39(47-30)16-17-41(51-39)37(5,46)14-12-29(18-24)48-41/h19,25-27,29-31,33-35,43,46H,1,6-18,20-23H2,2-5H3,(H,44,45)
InChIKey: ZYFHPTPXLHNGQK-UHFFFAOYSA-N
Reference
Pinnatoxin A: a toxic amphoteric macrocycle from the Okinawan bivalve Pinna muricata
PubChem CID: 21773496
CAS: 160759-36-4
LOTUS: LTS0143026
COCONUT: CNP0260329.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mytilus edulis | Mytilus | Mytilidae | Mytilida | Bivalvia | Mollusca | Metazoa | Eukaryota |
| Crassostrea gigas | Crassostrea | Ostreidae | Ostreida | Bivalvia | Mollusca | Metazoa | Eukaryota |
| Pinna muricata | Pinna | Pinnidae | Pterioida | Bivalvia | Mollusca | Metazoa | Eukaryota |
| Pinna attenuata | Pinna | Pinnidae | Pterioida | Bivalvia | Mollusca | Metazoa | Eukaryota |
| Pinna atropurpurea | Pinna | Pinnidae | Pterioida | Bivalvia | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 711.9370000000004
TPSA？: 136.27
MolLogP？: 6.614100000000009
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|