Erythribyssin H
PubChem CID: 46210587
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| Compound Synonyms | ERYTHRIBYSSIN H, CHEMBL1096947, (3R)-3-(4-hydroxy-2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol |
|---|---|
| Topological Polar Surface Area | 68.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 350.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3-(4-hydroxy-2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Is Pains | False |
| Molecular Formula | C16H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UVEJZNPFUVMWRY-GFCCVEGCSA-N |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 3.0 |
| Compound Name | Erythribyssin H |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.1 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 288.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 288.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.496610942857143 |
| Inchi | InChI=1S/C16H16O5/c1-19-14-7-13(18)16(20-2)6-11(14)12-8-21-15-5-9(17)3-4-10(12)15/h3-7,12,17-18H,8H2,1-2H3/t12-/m1/s1 |
| Smiles | COC1=CC(=C(C=C1[C@@H]2COC3=C2C=CC(=C3)O)OC)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients