(-)-Dihydroguaiaretic acid
PubChem CID: 11602375
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| Compound Synonyms | (-)-dihydroguaiaretic acid, 124649-78-1, G8DW2Y2JBT, Dihydroguaiaretic acid, (-)-, UNII-G8DW2Y2JBT, Dihydroguaiaretic acid, 4-[(2R,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol, CHEMBL375927, Phenol, 4,4'-[(2R,3R)-2,3-dimethyl-1,4-butanediyl]bis[2-methoxy-, Phenol, 4,4'-((2R,3R)-2,3-dimethyl-1,4-butanediyl)bis(2-methoxy-, Phenol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis(2-methoxy-, (R-(R*,R*))-, 4,4'-[(2r,3r)-2,3-Dimethylbutane-1,4-Diyl]bis(2-Methoxyphenol), (-)-Dihydroguaiareticacid, BDBM50216276, HY-N10898, AKOS037514929, FS-7449, DA-68941, CS-0637360, Q27278934, 4,4''-((2R,3R)-2,3-dimethylbutane-1,4-diyl)bis(2-methoxyphenol) |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | P04150, Q9Y2D0, P35218, P00918, P00915, P96878, P9WPJ7, Q5AJ71, Q3I4V7, n.a., P37059, P14061 |
| Iupac Name | 4-[(2R,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol |
| Prediction Hob | 1.0 |
| Target Id | NPT249, NPT947, NPT233, NPT1588, NPT1587 |
| Xlogp | 5.0 |
| Molecular Formula | C20H26O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ADFOLUXMYYCTRR-ZIAGYGMSSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.531 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.296 |
| Compound Name | (-)-Dihydroguaiaretic acid |
| 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 |
| 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/t13-,14-/m1/s1 |
| Smiles | C[C@H](CC1=CC(=C(C=C1)O)OC)[C@H](C)CC2=CC(=C(C=C2)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Casuarina Equisetifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Endiandra Anthropophagorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Mollugo Pentaphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Paederia Foetida (Plant) Rel Props:Source_db:npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Saururus Cernuus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Saururus Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all