Gnetupendin B
PubChem CID: 10362368
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| Compound Synonyms | Gnetupendin B, CHEMBL5269587, 382137-57-7, GnetupendinB, 4-((3,4-dihydroxyphenyl)methyl)-5-((E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl)benzene-1,3-diol, 4-[(3,4-dihydroxyphenyl)methyl]-5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol, BDBM50608725 |
|---|---|
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 511.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(3,4-dihydroxyphenyl)methyl]-5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol |
| Prediction Hob | 0.0 |
| Xlogp | 4.3 |
| Molecular Formula | C22H20O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DHOWKHPVWVNKPP-GORDUTHDSA-N |
| Fcsp3 | 0.0909090909090909 |
| Logs | -3.246 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.39 |
| Compound Name | Gnetupendin B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 380.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 380.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 380.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.059469485714285 |
| Inchi | InChI=1S/C22H20O6/c1-28-22-10-13(3-7-19(22)25)2-5-15-11-16(23)12-20(26)17(15)8-14-4-6-18(24)21(27)9-14/h2-7,9-12,23-27H,8H2,1H3/b5-2+ |
| Smiles | COC1=C(C=CC(=C1)/C=C/C2=C(C(=CC(=C2)O)O)CC3=CC(=C(C=C3)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gnetum Pendulum (Plant) Rel Props:Source_db:cmaup_ingredients