(10)-Gingerol
PubChem CID: 168115
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| Compound Synonyms | 10-Gingerol, 23513-15-7, (10)-Gingerol, [10]-Gingerol, (S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone, UNII-ND6ZLI4J0V, ND6ZLI4J0V, (5s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one, (S)- 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone, 3-Tetradecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-, MFCD01682694, CHEMBL549472, (S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one, CHEBI:81134, (+)-(S)-[10]-Gingerol, DTXSID80178079, (5S)-(10)-GINGEROL, 3-Tetradecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-, (+)-(S)-(10)-GINGEROL, (5S)-5-HYDROXY-1-(4-HYDROXY-3-METHOXYPHENYL)-3-TETRADECANONE, (S)-10-Gingerol, 10-Gingerol (Standard), SCHEMBL16488702, HY-N0448R, DTXCID60100570, AIULWNKTYPZYAN-SFHVURJKSA-N, SRCG-00267, HY-N0448, [10]-Gingerol, analytical standard, BDBM50317425, s9091, AKOS015888437, AC-1446, CCG-268037, FG09323, [10]-Gingerol, >=95% (HPLC), 1ST40212, AS-71715, DA-49053, PD053774, 10-GINGEROL (CONSTITUENT OF GINGER), CS-0008981, C17496, 10-GINGEROL (CONSTITUENT OF GINGER) [DSC], Q27155092 |
|---|---|
| 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 |
| Np Classifier Class | Catechols with side chains |
| Deep Smiles | CCCCCCCCC[C@@H]CC=O)CCcccccc6)OC)))O)))))))))O |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 345.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P08908, n.a., P20813, P10632, P11712, P33261, P08684, P11509, P10635, P15121 |
| Iupac Name | (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT92, NPT627, NPT628, NPT212, NPT213, NPT109, NPT240, NPT110, NPT41 |
| Xlogp | 5.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C21H34O4 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AIULWNKTYPZYAN-SFHVURJKSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.6666666666666666 |
| Logs | -4.6 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.069 |
| Synonyms | [10]-gingerol, gingerol, (10)-, gingerol,10- |
| Esol Class | Moderately soluble |
| Functional Groups | CC(C)=O, CO, cO, cOC |
| Compound Name | (10)-Gingerol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 350.246 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 350.246 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 350.5 |
| 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 | -4.5867938 |
| Inchi | InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1 |
| Smiles | CCCCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Aromatic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all