5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol
PubChem CID: 9859982
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| Compound Synonyms | 35154-48-4, 5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol, 1,2,3-Benzenetriol, 5-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-, 3,5,3',4',5'-pentahydroxy-stilbene, 3,5,3',4',5'-pentahydroxy-trans-stilbene, SCHEMBL1393726, CHEMBL2260735, DTXSID601191206, (E)-5-(3,5-Dihydroxystyryl)benzene-1,2,3-triol, 5-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]-1,2,3-benzenetriol |
|---|---|
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 297.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., O75762, Q2KIM0, C0HJB3 |
| Iupac Name | 5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C14H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PBRNOKNVNSKDQZ-OWOJBTEDSA-N |
| Fcsp3 | 0.0 |
| Logs | -1.798 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.206 |
| Compound Name | 5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 260.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.3134874210526313 |
| Inchi | InChI=1S/C14H12O5/c15-10-3-8(4-11(16)7-10)1-2-9-5-12(17)14(19)13(18)6-9/h1-7,15-19H/b2-1+ |
| Smiles | C1=C(C=C(C=C1O)O)/C=C/C2=CC(=C(C(=C2)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Coprosma Lucida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Eleutherococcus Sessiliflorus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Fritillaria Persica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Gymnosporia Diversifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Trinia Scabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all