(2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethyl-3,4-dihydrochromene-3,5-diol
PubChem CID: 14190782
Connections displayed (default: 10).
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| Topological Polar Surface Area | 49.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 492.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethyl-3,4-dihydrochromene-3,5-diol |
| Prediction Hob | 0.0 |
| Xlogp | 5.7 |
| Molecular Formula | C22H32O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OELJEAVRDMYCHY-NCSHIYJNSA-N |
| Fcsp3 | 0.5454545454545454 |
| Logs | -3.571 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.824 |
| Compound Name | (2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethyl-3,4-dihydrochromene-3,5-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 344.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.235 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 344.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.379969 |
| Inchi | InChI=1S/C22H32O3/c1-15(2)8-6-9-16(3)10-7-11-22(5)21(24)14-18-19(23)12-17(4)13-20(18)25-22/h8,10,12-13,21,23-24H,6-7,9,11,14H2,1-5H3/b16-10+/t21-,22-/m1/s1 |
| Smiles | CC1=CC(=C2C[C@H]([C@@](OC2=C1)(C)CC/C=C(\C)/CCC=C(C)C)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euonymus Alatus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Juniperus Excelsa (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Lilium Lancifolium (Plant) Rel Props:Source_db:cmaup_ingredients