Dihydroguaiaretic Acid
PubChem CID: 161924
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| Compound Synonyms | Dihydroguaiaretic acid, 36469-60-0, 4,4'-(2,3-dimethylbutane-1,4-diyl)bis(2-methoxyphenol), CCRIS 7923, 4-[4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol, Phenol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis[2-methoxy-, 2,3-Dimethyl-1-(3'-methoxy-4'-hydroxyphenyl)-4-(3''-methoxy-4''hydroxyphenyl)butane, 4-(4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl)-2-methoxyphenol, Dihydroguaiaretate, dihydroguaiaretic acid, (R*,S*)-isomer, SCHEMBL9087980, CHEMBL1976696, ACon1_001505, DTXSID30957790, 4-butanediylDihydroguaiaretic acid, ADFOLUXMYYCTRR-UHFFFAOYSA-N, HMS3342F18, BDBM50030892, NSC705084, AKOS032948494, NSC-705084, NCGC00180436-01, NCI60_037533, NS00067897, BRD-A19129781-001-01-6, Phenol,4'-(2,3-dimethyl-1,4-butanediyl)bis[2-methoxy-, 4-[4-(4-hydroxy-3-methoxy-phenyl)-2,3-dimethyl-butyl]-2-methoxy-phenol |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 328.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol |
| Prediction Hob | 1.0 |
| Class | Dibenzylbutane lignans |
| Target Id | NPT77 |
| Xlogp | 5.0 |
| Superclass | Lignans, neolignans and related compounds |
| Molecular Formula | C20H26O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ADFOLUXMYYCTRR-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.676 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.965 |
| Synonyms | Dihydroguaiaretate, Meso-dihydroguaiaretic acid, Dihydroguaiaretic acid, (r*,s*)-isomer |
| Compound Name | Dihydroguaiaretic Acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 330.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 330.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -4.9214288 |
| Inchi | InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3 |
| Smiles | CC(CC1=CC(=C(C=C1)O)OC)C(C)CC2=CC(=C(C=C2)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Dibenzylbutane lignans |
- 1. Outgoing r'ship
FOUND_INto/from Saururus Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients