Gnetupendin A
PubChem CID: 636882
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| Compound Synonyms | Gnetupendin A, 10-(4-Hydroxybenzyl)-isorhapontigenin, 382137-56-6, 1,3-benzenediol, 5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-[(4-hydroxyphenyl)methyl]-, 4-(4-Hydroxy-benzyl)-5-[2-(4-hydroxy-3-methoxy-phenyl)-vinyl]-benzene-1,3-diol, 4-(4-hydroxybenzyl)-5-[(E)-2-(4-hydroxy-3-methoxyphenyl)vinyl]benzene-1,3-diol, 5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-[(4-hydroxyphenyl)methyl]benzene-1,3-diol, GnetupendinA, 4-(4-Hydroxy-benzyl)-5-(2-(4-hydroxy-3-methoxy-phenyl)-vinyl)-benzene-1,3-diol, 4-(4-hydroxybenzyl)-5-((E)-2-(4-hydroxy-3-methoxyphenyl)vinyl)benzene-1,3-diol, 5-((E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl)-4-((4-hydroxyphenyl)methyl)benzene-1,3-diol, 1,3-benzenediol, 5-((E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl)-4-((4-hydroxyphenyl)methyl)- |
|---|---|
| Topological Polar Surface Area | 90.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 473.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-[(4-hydroxyphenyl)methyl]benzene-1,3-diol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Is Pains | False |
| Molecular Formula | C22H20O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VFHNCULLCMIZKI-QHHAFSJGSA-N |
| Fcsp3 | 0.0909090909090909 |
| Rotatable Bond Count | 5.0 |
| Compound Name | Gnetupendin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 364.131 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 364.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 364.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.198394733333333 |
| Inchi | InChI=1S/C22H20O5/c1-27-22-11-15(5-9-20(22)25)2-6-16-12-18(24)13-21(26)19(16)10-14-3-7-17(23)8-4-14/h2-9,11-13,23-26H,10H2,1H3/b6-2+ |
| Smiles | COC1=C(C=CC(=C1)/C=C/C2=C(C(=CC(=C2)O)O)CC3=CC=C(C=C3)O)O |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gnetum Pendulum (Plant) Rel Props:Source_db:cmaup_ingredients