3,4,5-Trihydroxy-Transstilbene
PubChem CID: 9964599
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| Compound Synonyms | 3,4,5-trihydroxy-transstilbene, 5-[(E)-2-phenylethenyl]benzene-1,2,3-triol, 5-((E)-2-phenylethenyl)benzene-1,2,3-triol, 3,4,5-trihydroxystilbene, SCHEMBL41159, CHEMBL455488, (E)-3,4,5-Trihydroxystilbene, IYWFOPPYQUEKHN-VOTSOKGWSA-N |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 246.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[(E)-2-phenylethenyl]benzene-1,2,3-triol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C14H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IYWFOPPYQUEKHN-VOTSOKGWSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.793 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.097 |
| Compound Name | 3,4,5-Trihydroxy-Transstilbene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 228.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.6173843411764706 |
| Inchi | InChI=1S/C14H12O3/c15-12-8-11(9-13(16)14(12)17)7-6-10-4-2-1-3-5-10/h1-9,15-17H/b7-6+ |
| Smiles | C1=CC=C(C=C1)/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 Polygonum Cuspidatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all