(-)-epsilon-Viniferin
PubChem CID: 11969910
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| Compound Synonyms | CHEMBL5281685, (-)-.epsilon.-Viniferin, NSC634719, BDBM50611772, NSC-634719 |
|---|---|
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 672.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 5-[(3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol |
| Prediction Hob | 0.0 |
| Xlogp | 5.4 |
| Molecular Formula | C28H22O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FQWLMRXWKZGLFI-QMXRTTGVSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.745 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.022 |
| Compound Name | (-)-epsilon-Viniferin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 454.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 454.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 454.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.318116541176471 |
| Inchi | InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28?/m1/s1 |
| Smiles | C1=CC(=CC=C1/C=C/C2=C3[C@H](C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vinca Erecta (Plant) Rel Props:Source_db:cmaup_ingredients