PDB CCD ID: | CTS |
Number of entries in BioLiP: | 13 |
Chemical formula: | C8 H15 N O4 |
InChI: | InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1 |
InChIKey: | JDVVGAQPNNXQDW-TVNFTVLESA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.341 | O[C@H]1CCN2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]12 | OpenEye OEToolkits 1.5.0 | C1CN2CC(C(C(C2C1O)O)O)O | OpenEye OEToolkits 1.5.0 | C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O | CACTVS 3.341 | O[CH]1CCN2C[CH](O)[CH](O)[CH](O)[CH]12 | ACDLabs 10.04 | OC1CCN2C1C(O)C(O)C(O)C2 |
|
Name: | CASTANOSPERMINE; (1S,6S,7R,8R,8AR)-1,6,7,8-TETRAHYDROXYINDOLIZIDINE |
ChEMBL: | CHEMBL311226 |
DrugBank: | DB01816 |
ZINC: | ZINC000003775177 |