4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2-diol
PubChem CID: 5468835
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| Compound Synonyms | 136273-05-7, 4,4'-(1E)-1,2-Ethenediylbis[1,2-benzenediol], NSC677220, CHEMBL99801, 4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2-diol, (E)-4,4'-(Ethene-1,2-diyl)bis(benzene-1,2-diol), 4-[(1E)-2-(3,4-DIHYDROXYPHENYL)ETHENYL]BENZENE-1,2-DIOL, (E)-3,3',4,4'-Stilbenetetraol, SCHEMBL1824175, BDBM50045929, AKOS040889804, NSC-677220, 3,4,4',5'-tetrahydroxy-trans-stilbene, AS-78521, D94399, 4-[2-(3,4-dihydroxyphenyl)vinyl]benzene-1,2-diol, 4-[(E)-2-(3,4-dihydroxyphenyl)vinyl]benzene-1,2-diol, 4-[2-(3,4-dihydroxyphenyl)-(E)-1-ethenyl]-1,2-benzenediol |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 264.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P06239, n.a. |
| Iupac Name | 4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2-diol |
| Prediction Hob | 1.0 |
| Target Id | NPT13 |
| Xlogp | 2.8 |
| Molecular Formula | C14H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DZYRGJKHEGXOCR-OWOJBTEDSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.099 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.746 |
| Compound Name | 4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 244.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.460758533333333 |
| Inchi | InChI=1S/C14H12O4/c15-11-5-3-9(7-13(11)17)1-2-10-4-6-12(16)14(18)8-10/h1-8,15-18H/b2-1+ |
| Smiles | C1=CC(=C(C=C1/C=C/C2=CC(=C(C=C2)O)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polygonum Cuspidatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all