Stilbostemin A
PubChem CID: 11806868
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| Compound Synonyms | STILBOSTEMIN A, CHEMBL464899, InChI=1/C15H16O3/c1-18-15-5-3-2-4-12(15)7-6-11-8-13(16)10-14(17)9-11/h2-5,8-10,16-17H,6-7H2,1H |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 234.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[2-(2-methoxyphenyl)ethyl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C15H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZXGSOIIHJOKSSX-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -2.857 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.405 |
| Compound Name | Stilbostemin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 244.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.034631333333333 |
| Inchi | InChI=1S/C15H16O3/c1-18-15-5-3-2-4-12(15)7-6-11-8-13(16)10-14(17)9-11/h2-5,8-10,16-17H,6-7H2,1H3 |
| Smiles | COC1=CC=CC=C1CCC2=CC(=CC(=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stemona Collinsae (Plant) Rel Props:Source_db:npass_chem_all