Erycibenin F
PubChem CID: 16093657
Connections displayed (default: 10).
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| Compound Synonyms | ERYCIBENIN F, CHEMBL391981, (2S)-2-(2,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene, 927674-33-7 |
|---|---|
| Topological Polar Surface Area | 46.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-(2,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C19H22O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PMRQWIMUVQIZNP-INIZCTEOSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -5.414 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.596 |
| Compound Name | Erycibenin F |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 330.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 330.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2593559999999995 |
| Inchi | InChI=1S/C19H22O5/c1-20-12-5-6-14(17(9-12)22-3)16-8-7-15-18(23-4)10-13(21-2)11-19(15)24-16/h5-6,9-11,16H,7-8H2,1-4H3/t16-/m0/s1 |
| Smiles | COC1=CC(=C(C=C1)[C@@H]2CCC3=C(O2)C=C(C=C3OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erycibe Expansa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all