Phoyunbene C
PubChem CID: 11507326
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| Compound Synonyms | Phoyunbene C, CHEBI:66755, 3-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]-2-methoxyphenol, trans-3,3'-Dihydroxy-2',5-dimethoxystilbene, 886747-63-3, 3-((E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl)-2-methoxyphenol, CHEMBL2012418, AKOS040762872, CS-0203834, Q27135380 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 318.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 3-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]-2-methoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C16H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NYSXLCHSDQNVBS-VOTSOKGWSA-N |
| Fcsp3 | 0.125 |
| Logs | -3.644 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.492 |
| Compound Name | Phoyunbene C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 272.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.8628599999999995 |
| Inchi | InChI=1S/C16H16O4/c1-19-14-9-11(8-13(17)10-14)6-7-12-4-3-5-15(18)16(12)20-2/h3-10,17-18H,1-2H3/b7-6+ |
| Smiles | COC1=CC(=CC(=C1)O)/C=C/C2=C(C(=CC=C2)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pholidota Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all