Chelist Moleculee
JRC CODE:JRC-000222
cas:50-55-5
einecs:200-047-9
smiles:c12[C@@H]3[N@@](C[C@H]4C[C@@H](OC(c5cc(c(OC)c(c5)OC)OC)=O)[C@@H]([C@H]([C@@H]4C3)C(OC)=O)OC)CCc1c1ccc(cc1[nH]2)OC
name:Reserpine
MW:608.6787
formula:C33H40N2O9
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

NTP CYTOTOX (1353): Compound Cytotoxicity Profiling Using Quantitative High-Throughput Screening (International Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
NICEATM ED (78): Reference chemicals used in NICEATM BG1Luc Estrogen Receptor Transactivation Assay validation study (Method Validation)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)