(8)-Gingerol
PubChem CID: 168114
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| Compound Synonyms | 8-Gingerol, 23513-08-8, (8)-Gingerol, [8]-Gingerol, (S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-dodecanone, (5s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one, UNII-LB0IJB138K, LB0IJB138K, (S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one, MFCD00877794, CHEMBL1095671, CHEBI:81133, (S)-(+)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-dodecanone, 3-Dodecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-, DTXSID20178078, 3-Dodecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-(+)-, 8-Gingerol (Standard), SCHEMBL16488703, HY-N0447R, DTXCID50100569, HMS3887A05, [8]-Gingerol, analytical standard, HY-N0447, BDBM50317426, s9434, [8]-Gingerol, >=95% (HPLC), AKOS025311538, CCG-267732, FG09322, AC-34322, AS-71132, 8-GINGEROL (CONSTITUENT OF GINGER), CS-0008980, C17495, 8-GINGEROL (CONSTITUENT OF GINGER) [DSC], Q27155091, (5s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl) dodecan-3-one |
|---|---|
| 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 | CCCCCCC[C@@H]CC=O)CCcccccc6)OC)))O)))))))))O |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 318.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P08908, P05177, P20813, P10632, P11712, P33261, P08684, P11509, P10635, P05181 |
| Iupac Name | (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT92, NPT208, NPT627, NPT628, NPT212, NPT213, NPT109, NPT240, NPT110, NPT241 |
| Xlogp | 4.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H30O4 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BCIWKKMTBRYQJU-INIZCTEOSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.631578947368421 |
| Logs | -4.028 |
| Rotatable Bond Count | 12.0 |
| Logd | 3.686 |
| Synonyms | 8-gingerol, [8]-gingerol, gingero1,8-, gingerol,(8), gingerol,(8)- |
| Esol Class | Soluble |
| Functional Groups | CC(C)=O, CO, cO, cOC |
| Compound Name | (8)-Gingerol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 322.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 322.214 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 322.4 |
| 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 | -3.8799024782608695 |
| Inchi | InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1 |
| Smiles | CCCCCCC[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 Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all