Confluentin
PubChem CID: 10381750
Connections displayed (default: 10).
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| Compound Synonyms | confluentin, 585534-03-8, (2R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethylchromen-5-ol, (R,E)-2-(4,8-Dimethylnona-3,7-dien-1-yl)-2,7-dimethyl-2H-chromen-5-ol, (2R)-2-((3E)-4,8-dimethylnona-3,7-dienyl)-2,7-dimethylchromen-5-ol, starbld0007834, CHEMBL449069, (2R)-2-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-2,7-dimethyl-2H-1-benzopyran-5-ol, HY-N3615, AKOS040762819, FS-10049, CS-0023940 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 498.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a. |
| Iupac Name | (2R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethylchromen-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | 6.7 |
| Molecular Formula | C22H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WQOSNKWCIQZRGH-IHSQGBLNSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -6.264 |
| Rotatable Bond Count | 6.0 |
| Logd | 5.257 |
| Compound Name | Confluentin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 326.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.848976 |
| Inchi | InChI=1S/C22H30O2/c1-16(2)8-6-9-17(3)10-7-12-22(5)13-11-19-20(23)14-18(4)15-21(19)24-22/h8,10-11,13-15,23H,6-7,9,12H2,1-5H3/b17-10+/t22-/m1/s1 |
| Smiles | CC1=CC(=C2C=C[C@@](OC2=C1)(C)CC/C=C(\C)/CCC=C(C)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
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