Chemical Component Summary | |
|---|---|
| Name | alpha-zearalanol |
| Synonyms | (3S,7R)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one |
| Identifiers | (7R,11S)-11-methyl-7,15,17-tris(oxidanyl)-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one |
| Formula | C18 H26 O5 |
| Molecular Weight | 322.396 |
| Type | NON-POLYMER |
| Isomeric SMILES | C[C@H]1CCC[C@@H](CCCCCc2cc(cc(c2C(=O)O1)O)O)O |
| InChI | InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1 |
| InChIKey | DWTTZBARDOXEAM-GXTWGEPZSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 49 |
| Chiral Atom Count | 2 |
| Bond Count | 50 |
| Aromatic Bond Count | 6 |
Drug Info: DrugBank
| DrugBank ID | DB11478? |
|---|---|
| Name | Zeranol |
| Groups |
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| Description | Zeranol is a non-steroidal estrogen agonist. It is a mycotoxin, derived from fungi in the Fusarium family, and may be found as a contaminant in fungus-infected crops. It is 3-4x more potent as an estrogen agonist than the related compound zearalenone. |
| Synonyms |
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| Categories |
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| CAS number | 26538-44-3 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Estrogen receptor alpha | MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPA... | unknown | |
| Sex hormone-binding globulin | MESRGPLATSRLLLLLLLLLLRHTRQGWALRPVLPTQSAHDPPAVHLSNG... | unknown |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL450613 |
| PubChem | 2999413 |
| ChEMBL | CHEMBL450613 |
| ChEBI | CHEBI:35064 |
| CCDC/CSD | SECCEK |
| COD | 2236196 |
