(3R)-7-hydroxy-3-(2-hydroxy-4,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID: 11197856
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL468449, SCHEMBL21168204 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 427.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-7-hydroxy-3-(2-hydroxy-4,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Is Pains | False |
| Molecular Formula | C17H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZYXYMRVGBSMJHI-LBPRGKRZSA-N |
| Fcsp3 | 0.2352941176470588 |
| Rotatable Bond Count | 3.0 |
| Compound Name | (3R)-7-hydroxy-3-(2-hydroxy-4,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.095 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 316.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 316.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.43820275652174 |
| Inchi | InChI=1S/C17H16O6/c1-21-15-6-11(13(19)7-16(15)22-2)12-8-23-14-5-9(18)3-4-10(14)17(12)20/h3-7,12,18-19H,8H2,1-2H3/t12-/m0/s1 |
| Smiles | COC1=C(C=C(C(=C1)[C@@H]2COC3=C(C2=O)C=CC(=C3)O)O)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Louvelii (Plant) Rel Props:Source_db:cmaup_ingredients