Chelist Moleculee
cas:11018-89-6
einecs:
smiles:C12([C@@H]3C(C4(C(C[C@H]3O)([C@H](CC4)C3=CC(=O)OC3)C)O)CCC1(C[C@H](C[C@H]2O)OC1C(C(C(C(O1)C)O)O)O)O)CO.O.O.O.O.O.O.O.O
name:Ouabain
MW:728.7747
formula:C29H60O20
InChi:
InChiKey:
SMARTS:

Search by similarity
Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

FP6 ReProTect (133): Test chemicals used for the development of in vitro tests within the FP6 project .ReProTect (EU Research Projects)