Sinensol A
PubChem CID: 10737359
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | SINENSOL A, 8-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-9,10-dihydrophenanthren-2-ol, 8-((4-hydroxyphenyl)methyl)-5,7-dimethoxy-9,10-dihydrophenanthren-2-ol, CHEMBL511821, 312583-46-3 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | GNRQSQCPDZCLSO-UHFFFAOYSA-N |
| Fcsp3 | 0.217391304347826 |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 27.0 |
| Compound Name | Sinensol A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 362.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 362.152 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 475.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 362.4 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-9,10-dihydrophenanthren-2-ol |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -5.466368333333333 |
| Inchi | InChI=1S/C23H22O4/c1-26-21-13-22(27-2)23-18-10-8-17(25)12-15(18)5-9-19(23)20(21)11-14-3-6-16(24)7-4-14/h3-4,6-8,10,12-13,24-25H,5,9,11H2,1-2H3 |
| Smiles | COC1=CC(=C2C(=C1CC3=CC=C(C=C3)O)CCC4=C2C=CC(=C4)O)OC |
| Xlogp | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C23H22O4 |
- 1. Outgoing r'ship
FOUND_INto/from Spiranthes Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients