10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0¹,⁴.0⁴,⁸]tridecane-2-carboxylic acid
AlkaPlorer ID: AK352951
Synonym: None
IUPAC Name: 6-amino-10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-3-oxa-5,7-diazatetracyclo[7.4.0.01,4.04,8]tridec-6-ene-2-carboxylic acid
Structure
SMILES: N=C1NC2C3C(O)C(O)(CO)C(O)C(O)C34C(C(=O)O)OC24N1
InChI: InChI=1S/C12H17N3O8/c13-9-14-3-2-4(17)10(22,1-16)5(18)6(19)11(2)7(8(20)21)23-12(3,11)15-9/h2-7,16-19,22H,1H2,(H,20,21)(H3,13,14,15)
InChIKey: CFAHVSCLJMZFOO-UHFFFAOYSA-N
Reference
Tetrodotoxin derivatives in puffer fish
PubChem CID: 5321895
LOTUS: LTS0093109
COCONUT: CNP0418079.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Takifugu poecilonotus | Takifugu | Tetraodontidae | Tetraodontiformes | Actinopteri | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 331.28100000000006
TPSA？: 195.59
MolLogP？: -4.901829999999995
Number of H-Donors: 9
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|