This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

(-)-Lyoniresinol

PubChem CID: 9888378

Connections displayed (default: 10).
Loading graph...

Compound Synonyms (-)-Lyoniresinol, 31768-94-2, (6S,7S,8R)-8-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol, 23212-64-8, CHEMBL1760594, HY-N3349A, (invertedexclamationmarkA)-Lyoniresinol, AKOS040760539, FS-7820, DA-68954, ( inverted exclamation markA)-Lyoniresinol, CS-0089480, (2S,3S,4R)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-2,3-bis(hydroxymethyl)-5,7-dimethoxy-tetralin-6-ol
Topological Polar Surface Area 118.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 30.0
Isotope Atom Count 0.0
Molecular Complexity 519.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 3.0
Iupac Name (6S,7S,8R)-8-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol
Prediction Hob 1.0
Xlogp 2.0
Molecular Formula C22H28O8
Prediction Swissadme 1.0
Inchi Key ZDVZKBOFCHOPLM-LBTNJELSSA-N
Fcsp3 0.4545454545454545
Logs -3.721
Rotatable Bond Count 7.0
Logd 1.909
Compound Name (-)-Lyoniresinol
Prediction Hob Swissadme 1.0
Exact Mass 420.178
Formal Charge 0.0
Monoisotopic Mass 420.178
Hydrogen Bond Acceptor Count 8.0
Molecular Weight 420.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Esol -3.534539600000001
Inchi InChI=1S/C22H28O8/c1-27-15-7-12(8-16(28-2)20(15)25)18-14(10-24)13(9-23)5-11-6-17(29-3)21(26)22(30-4)19(11)18/h6-8,13-14,18,23-26H,5,9-10H2,1-4H3/t13-,14-,18+/m1/s1
Smiles COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]([C@H](CC3=CC(=C(C(=C23)OC)O)OC)CO)CO
Nring 3.0
Defined Bond Stereocenter Count 0.0