3'-Methoxy-[6]-Gingerdiol 3,5-diacetate
PubChem CID: 5319662
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| Compound Synonyms | 3'-Methoxy-[6]-Gingerdiol 3,5-diacetate, Methyl diacetoxy-6-gingerdiol, [3-acetyloxy-1-(3,4-dimethoxyphenyl)decan-5-yl] acetate, 863780-90-9, 3-(acetyloxy)-1-(3,4-dimethoxyphenyl)decan-5-yl acetate, Methyl diacetoxy-[6]gingerdiol, CHEBI:175968, QCJKXQWAFFZFLJ-UHFFFAOYSA-N, LMFA07010756, AKOS040734215, FS-7649, DA-75476, 1-(3,4-Dimethoxyphenyl)decane-3,5-diyl diacetate, 3,5-Decanediol, 1-(3,4-dimethoxyphenyl)-, diacetate, 3,5-Decanediol, 1-(3,4-dimethoxyphenyl)-, 3,5-diacetate |
|---|---|
| Topological Polar Surface Area | 71.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Description | Constituent of ginger (Zingiber officinale) rhizomes. 3'-Methoxy-[6]-Gingerdiol 3,5-diacetate is found in herbs and spices and ginger. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 452.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3-acetyloxy-1-(3,4-dimethoxyphenyl)decan-5-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C22H34O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QCJKXQWAFFZFLJ-UHFFFAOYSA-N |
| Fcsp3 | 0.6363636363636364 |
| Logs | -4.279 |
| Rotatable Bond Count | 15.0 |
| Logd | 3.474 |
| Synonyms | 3'-Methoxy-[6]-Gingerdiol 3,5-diacetate |
| Compound Name | 3'-Methoxy-[6]-Gingerdiol 3,5-diacetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 394.236 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 394.236 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 394.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.66122102857143 |
| Inchi | InChI=1S/C22H34O6/c1-6-7-8-9-19(27-16(2)23)15-20(28-17(3)24)12-10-18-11-13-21(25-4)22(14-18)26-5/h11,13-14,19-20H,6-10,12,15H2,1-5H3 |
| Smiles | CCCCCC(CC(CCC1=CC(=C(C=C1)OC)OC)OC(=O)C)OC(=O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all