(2R)-2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-7-methoxy-2,3-dihydrochromen-4-one
PubChem CID: 162974379
Connections displayed (default: 10).
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| Topological Polar Surface Area | 94.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 470.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-7-methoxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C18H18O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UOCMSMUZLBMNRP-GFCCVEGCSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -4.207 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.352 |
| Compound Name | (2R)-2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-7-methoxy-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 346.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 346.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9054770000000003 |
| Inchi | InChI=1S/C18H18O7/c1-22-11-5-4-9(6-13(11)23-2)12-7-10(19)16-14(25-12)8-15(24-3)17(20)18(16)21/h4-6,8,12,20-21H,7H2,1-3H3/t12-/m1/s1 |
| Smiles | COC1=C(C=C(C=C1)[C@H]2CC(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients