Chelist Moleculee
JRC CODE:JRC-000217
cas:16561-29-8 27936-27-2
einecs:605-413-5
smiles:[H][C@@]12C=C(C)C(=O)[C@@]1(O)CC(CO)=C[C@@]1([H])[C@@H]3C(C)(C)[C@]3(OC(C)=O)[C@H](OC(=O)CCCCCCCCCCCCC)[C@@H](C)[C@]21O
name:Tetradecanoyl phorbol acetate
MW:616.825
formula:C36H56O8
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

NICEATM ED (78): Reference chemicals used in NICEATM BG1Luc Estrogen Receptor Transactivation Assay validation study (Method Validation)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
CarcinoGENOMICS (34): Test chemicals used for the development of in vitro carcinogenicity tests during the FP6 project carcinoGENOMICS. (EU Research Projects)