Guaiacylglycerol-beta-guaiacyl ether
PubChem CID: 6424189
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 7382-59-4, GUAIACYLGLYCEROL-BETA-GUAIACYL ETHER, 1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol, GGBGE, GGGE, Guaiacyl glycero-beta-guaiacyl ether, Guaiacylglycerol-beta-O-4-guaiacyl ether, 1-(4-Hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1,3-propanediol, CHEBI:53650, MFCD00060144, 2-Methoxy-4-[1,3-dihydroxy-2-(2-methoxyphenoxy)propyl]phenol, 1-(3-Methoxy-4-hydroxyphenyl)-2-(2-methoxyphenoxy)-1,3-propanediol, 2-(2-Methoxyphenoxy)-3-(3-methoxy-4-hydroxyphenyl)propane-1,3-diol, Guaiacylglycerol-B-guaiacyl ether, 1-[4-hydroxy-3-(methyloxy)phenyl]-2-{[2-(methyloxy)phenyl]oxy}propane-1,3-diol, EROL, 1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propan-1,3-diol, erythro-GGE, threo-GGE, Guaiacylglycerol-, A-guaiacyl Ether, bmse010041, bmse010042, Epitope ID:116881, Guaiacyl glycero--guaiacyl ether, SCHEMBL13499771, Guaiacylglycerol-?-guaiacyl ether, 1-(4-Hydroxy-3-methoxyphenyl)-1,3-dihydroxy-(2-methoxyphenoxy)-propan, AKOS025404995, AS-37826, FG172847, SY053808, threo-guaiacylglycerol-beta-guaiacyl ether, DB-055806, erythro-guaiacylglycerol-beta-guaiacyl ether, CS-0172635, G0233, C21422, guaiacylglycerol-beta-guaiacyl ether, AldrichCPR, A837938, Q27124134, 1-(4-hydroxy-3-methoxy-phenyl)-2-(2-methoxyphenoxy)propane-1,3-diol, GUAIACYLGLYCEROL-BETA-GUAIACYL ETHER |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 88.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(CCCC2CCCCC2)CC1 |
| Np Classifier Class | Neolignans |
| Deep Smiles | OCCCcccccc6)OC)))O)))))O))Occcccc6OC |
| Heavy Atom Count | 23.0 |
| Scaffold Graph Node Level | C1CCC(CCOC2CCCCC2)CC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 339.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol |
| Veber Rule | True |
| Classyfire Superclass | Lignans, neolignans and related compounds |
| Xlogp | 1.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H20O6 |
| Scaffold Graph Node Bond Level | c1ccc(CCOc2ccccc2)cc1 |
| Inchi Key | PPZSOILKWHVNNS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | 1-(4-hydroxy-3-methoxyphenyl)-1,2,3-tris(4-allyl-2-methoxyphenoxy)propane |
| Esol Class | Soluble |
| Functional Groups | CO, cO, cOC |
| Compound Name | Guaiacylglycerol-beta-guaiacyl ether |
| Exact Mass | 320.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 320.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 320.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H20O6/c1-21-13-5-3-4-6-14(13)23-16(10-18)17(20)11-7-8-12(19)15(9-11)22-2/h3-9,16-20H,10H2,1-2H3 |
| Smiles | COC1=CC=CC=C1OC(CO)C(C2=CC(=C(C=C2)O)OC)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Lignans |
- 1. Outgoing r'ship
FOUND_INto/from Ocimum Tenuiflorum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279