(E)-3,3',4,5'-Tetramethoxystilbene
PubChem CID: 5387294
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| Compound Synonyms | 83088-26-0, (E)-3,3',4,5'-TETRAMETHOXYSTILBENE, 4-(3,5-Dimethoxystyryl)-1,2-dimethoxybenzene, 3,3',4,5'-Tetramethoxypiceatannol, NSC622473, (E)-4-(3,5-Dimethoxystyryl)-1,2-dimethoxybenzene, CHEMBL44509, 1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene, (E)-3,5,30,40-Tetramethoxystilbene, 1-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene, MFCD09033675, 20767-18-4, (E)-3,4,3',5'-TETRAMETHOXYSTILBENE, SCHEMBL1394568, DTXSID101185371, BDBM50085526, (E)3,3',4,5'-Tetramethoxystilbene, AKOS015915177, NSC-622473, trans-3,3',4,5'-Tetramethoxystilbene, trans-3,5,3',4'-tetramethoxystilbene, 3,3',4,5'-Tetramethoxy-trans-stilbene, AC-24231, AS-66223, CS-0150476, T2842, T72978, 4-(2-(3,5-Dimethoxyphenyl)vinyl)-1,2-dimethoxybenzene, 1-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-3,5-dimethoxy-benzene, 4-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-1,2-dimethoxybenzene, 4-[(1E)-2-(3,5-Dimethoxyphenyl)ethenyl]-1,2-dimethoxybenzene, 4-[2-(3,5-dimethoxyphenyl)-(E)-1-ethenyl]-1,2-dimethoxybenzene |
|---|---|
| Topological Polar Surface Area | 36.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 332.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P04798, P05177, Q16678, n.a., Q12778, P01106, P16083 |
| Iupac Name | 1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene |
| Prediction Hob | 1.0 |
| Target Id | NPT1603, NPT208, NPT1604, NPT366 |
| Xlogp | 4.1 |
| Molecular Formula | C18H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PTVAOGIYBMTHSN-AATRIKPKSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -4.646 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.705 |
| Compound Name | (E)-3,3',4,5'-Tetramethoxystilbene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 300.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.607831163636363 |
| Inchi | InChI=1S/C18H20O4/c1-19-15-9-14(10-16(12-15)20-2)6-5-13-7-8-17(21-3)18(11-13)22-4/h5-12H,1-4H3/b6-5+ |
| Smiles | COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)OC)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rheum Undulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all