3-{2-[7-(1,5-Dimethylhexyl)-6-methylbicyclo[4.3.0]non-2-ylidene]ethylidene}-4-methylenecyclohexan-1-ol
PubChem CID: 5353527
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| Compound Synonyms | Quintox, 9,10-Secocholesta-5,7,10(19)-trien-3.beta.-ol, SCHEMBL267748, (5Z,7E)-9,10-Secocholesta-5,7,10-trien-3-ol, (3.beta.)- #, CHEMBL1354424, SCHEMBL23878716, QYSXJUFSXHHAJI-FWSOMWAYSA-N, AKOS024282589, NCGC00017328-02, NCGC00142511-01, 3-{2-[7-(1,5-dimethylhexyl)-6-methylbicyclo[4.3.0]non-2-ylidene]ethylidene}-4- methylenecyclohexan-1-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | QYSXJUFSXHHAJI-FWSOMWAYSA-N |
| Rotatable Bond Count | 6.0 |
| State | Solid |
| Synonyms | (+)-Vitamin D3, (3beta,Z,7e)-9,10-Secocholesta-5,7,10(19)-trien-3-ol, (5e,7e)-9,10-Secocholesta-5,7,10-trien-3-ol, 3-beta,Z,7E-9,10-Secocholestr-5,7,10(19)-trien-3-ol, 9,10-Secocholesta-5,7,10-trien-3-ol, 9,10-Secocholesta-5,7,10(19)-trien-3-beta-ol, 9,10-Secocholesta-5,7,10(19)-trien-3-ol, Activated 7-dehydrocholesterol, Arachitol, Calciol, CC, Cholecalciferol, Cholecalciferol D3, Cholecalciferol, BAN, Colecalciferol, Colecalciferol, INN, D3-Vigantol, Delsterol, Deparal, Devaron, Ebivit, Feracol, Granuvit D3, Micro-dee, Oleovitamin D3, Provitina, Quintox, Ricketon, Riva-d, Trivitan, Vi-De3, VidDe-3-hydrosol, Videkhol, Vigantol, Vigorsan, Vitamin D3, Vitinc dan-dee-3 |
| Heavy Atom Count | 28.0 |
| Pathway Kegg Map Id | map00100 |
| Compound Name | 3-{2-[7-(1,5-Dimethylhexyl)-6-methylbicyclo[4.3.0]non-2-ylidene]ethylidene}-4-methylenecyclohexan-1-ol |
| Description | Constituent of fish-liver oil, especies tuna oil. Antirachitic vitamin with approx. the same potency as vitamin D2 in humans Cholecalciferol (vitamin D3) is a steroid hormone that has long been known for its important role in regulating body levels of calcium and phosphorus, in mineralization of bone, and for the assimilation of Vitamin A. Vitamin D3 is found in many foods, some of which are bamboo shoots, processed cheese, alaska pollock, and celeriac. |
| Exact Mass | 384.339 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 384.339 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 610.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 384.6 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Enzyme Uniprot Id | Q9Y6Q9, O00268 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E)-3-[(2E)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13+ |
| Smiles | CC(C)CCCC(C)C1CCC\2C1(CCC/C2=C\C=C\3/CC(CCC3=C)O)C |
| Xlogp | 7.9 |
| Defined Bond Stereocenter Count | 2.0 |
| Molecular Formula | C27H44O |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all