Gingerol
PubChem CID: 442793
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| Compound Synonyms | 6-Gingerol, gingerol, 23513-14-6, [6]-Gingerol, (6)-Gingerol, (S)-(+)-[6]Gingerol, (S)-(6)-Gingerol, (S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one, (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one, 1391-73-7, 3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-, (S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone, (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone, C17-H26-O4, UNII-925QK2Z900, CHEBI:10136, (+)-[6]-Gingerol, (+)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone, MFCD00210507, 925QK2Z900, CHEMBL402978, 3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-, 3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-(+)-, 5-Hydroxy-1-(4'-hydroxy-3'-methoxyphenyl)-3-decanone, BDBM50317427, 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone, (S)-(+)-[6]Gingerol, 6-Gingerol, (5S)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl)decan-3-one, [6]-Gingerol (Standard), CBiol_001786, SCHEMBL32102, BSPBio_001347, KBioGR_000067, KBioSS_000067, (6)-GINGEROL [MI], CHEMBL446043, GTPL2428, SHG-02, DTXSID3041035, KBio2_000067, KBio2_002635, KBio2_005203, KBio3_000133, KBio3_000134, NLDDIKRKFXEWBK-AWEZNQCLSA-N, Bio1_000072, Bio1_000561, Bio1_001050, Bio2_000067, Bio2_000547, HMS1361D09, HMS1791D09, HMS1989D09, HMS3402D09, SRCG-00265, [6]-Gingerol, analytical standard, BDBM50275147, CA-422, HY-14615R, s3836, [6]-Gingerol, >=98% (HPLC), AKOS015888215, CCG-208033, CCG-208214, CS-6333, FG09324, IDI1_033817, NCGC00163131-01, NCGC00163131-02, NCGC00163131-03, AC-33934, DS-12369, HY-14615, 1ST000358, 6-GINGEROL (CONSTITUENT OF GINGER), NS00027445, C10462, 6-GINGEROL (CONSTITUENT OF GINGER) [DSC], Q421081, SR-05000002341, SR-05000002341-2, BRD-K26117720-001-02-2, (S)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl-3-decanone, [1-(4''-hydroxy-3''-methoxyphenyl)-5-hydroxy-3-decanone], SHG-02, 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone, 6-Gingerol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCCCC[C@@H]CC=O)CCcccccc6)OC)))O)))))))))O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P23219, P35354, P08908, n.a., P49798, O42275, P81908, Q9NUW8, P08684, P05177, P20813, P10632, P11712, P33261, P08253, P15121, P08236, P54292 |
| Iupac Name | (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT30, NPT31, NPT109, NPT208, NPT627, NPT628, NPT212, NPT213 |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H26O4 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NLDDIKRKFXEWBK-AWEZNQCLSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.5882352941176471 |
| Logs | -3.205 |
| Rotatable Bond Count | 10.0 |
| Logd | 3.017 |
| Synonyms | (+)-6-gingerol, 6-gingerol, [6]-gingerol, geijerol, gingerol, gingerol,(6)-, gingerol,6- |
| Esol Class | Soluble |
| Functional Groups | CC(C)=O, CO, cO, cOC |
| Compound Name | Gingerol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 294.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.9554527714285705 |
| Inchi | InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1 |
| Smiles | CCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Aframomum Melegueta (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Chromolaena Odorata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698069 - 3. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Reference:ISBN:9770972795006 - 4. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/20836122 - 5. Outgoing r'ship
FOUND_INto/from Zingiber Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all