4-(4-Hydroxy-3,5-dimethoxyphenyl)-5,7-dimethoxy-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-6-ol
PubChem CID: 5320062
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| Topological Polar Surface Area | 86.6 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 531.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(4-hydroxy-3,5-dimethoxyphenyl)-5,7-dimethoxy-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-6-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C22H26O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CSFGJEASQIWXHD-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -4.625 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.541 |
| Compound Name | 4-(4-Hydroxy-3,5-dimethoxyphenyl)-5,7-dimethoxy-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-6-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 402.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 402.168 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 402.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.195053496551725 |
| Inchi | InChI=1S/C22H26O7/c1-25-15-7-12(8-16(26-2)20(15)23)18-14-10-29-9-13(14)5-11-6-17(27-3)21(24)22(28-4)19(11)18/h6-8,13-14,18,23-24H,5,9-10H2,1-4H3 |
| Smiles | COC1=CC(=CC(=C1O)OC)C2C3COCC3CC4=CC(=C(C(=C24)OC)O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eleutherococcus Senticosus (Plant) Rel Props:Source_db:cmaup_ingredients