2,3,4,5,6-pentahydroxycyclohexyl 6-bromo-4'-hydroxy-4'-methyl-2,12',14'-trioxo-1,2-dihydro-2',9',11',13'-tetraazaspiro[indole-3,5'-tricyclo[8.4.0.0³,?]tetradecane]-1'(10'),2'-diene-6'-carboxylate
AlkaPlorer ID: AK330694
Synonym: None
IUPAC Name: [(2S,3R,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] (3R,4'S,6'S,7'R)-6-bromo-4'-hydroxy-4'-methyl-2,12',14'-trioxospiro[1H-indole-3,5'-2,9,11,13-tetrazatricyclo[8.4.0.03,7]tetradeca-1(10),2-diene]-6'-carboxylate
Structure
SMILES: C[C@@]1(O)C2=NC3=C(O)N=C(O)N=C3NC[C@H]2[C@H](C(=O)OC2[C@@H](O)[C@H](O)C(O)[C@@H](O)[C@H]2O)[C@]12C(O)=NC1=CC(Br)=CC=C12
InChI: InChI=1S/C25H26BrN5O11/c1-24(41)18-7(5-27-19-11(29-18)20(37)31-23(40)30-19)10(25(24)8-3-2-6(26)4-9(8)28-22(25)39)21(38)42-17-15(35)13(33)12(32)14(34)16(17)36/h2-4,7,10,12-17,32-36,41H,5H2,1H3,(H,28,39)(H3,27,30,31,37,40)/t7-,10+,12?,13+,14+,15-,16+,17?,24+,25+/m0/s1
InChIKey: AFDHDUMCMVFEIH-RXSVICFYSA-N
Reference
Elucidation of Toxins and Their Origin in the Japanese Ivory Shell, Babylonia japonica
PubChem CID: 119025967
LOTUS: LTS0195721
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Babylonia japonica | Babylonia | Buccinidae | Neogastropoda | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 652.4110000000002
TPSA？: 270.9
MolLogP？: -1.5851999999999988
Number of H-Donors: 10
Number of H-Acceptors: 15
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|