1-Dehydro-[6]-gingerdione
PubChem CID: 22321203
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| Compound Synonyms | 1-Dehydro-[6]-gingerdione, 1-Dehydro-(6)-gingerdione, (1E,3Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)deca-1,3-dien-5-one, CHEMBL555195, SCHEMBL14952275, CHEBI:81311, C17746, 748159-33-3 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 373.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08908, n.a. |
| Iupac Name | (1E,3Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)deca-1,3-dien-5-one |
| Prediction Hob | 1.0 |
| Target Id | NPT92 |
| Xlogp | 4.2 |
| Molecular Formula | C17H22O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FZWNRFAUDBWSKY-QNQPVOBRSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -3.265 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.725 |
| Compound Name | 1-Dehydro-[6]-gingerdione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 290.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 290.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.27205437142857 |
| Inchi | InChI=1S/C17H22O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h7-12,19-20H,3-6H2,1-2H3/b9-7+,15-12- |
| Smiles | CCCCCC(=O)/C=C(/C=C/C1=CC(=C(C=C1)O)OC)\O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all