5,6-Dihydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-7-methoxychromen-4-one
PubChem CID: 5318508
Connections displayed (default: 10).
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| Topological Polar Surface Area | 115.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 549.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,6-dihydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-7-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C18H16O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HPDHWLHTEDKQKQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.719 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.075 |
| Compound Name | 5,6-Dihydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-7-methoxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 360.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.085 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 360.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.393056215384616 |
| Inchi | InChI=1S/C18H16O8/c1-23-11-5-9(19)13(24-2)4-8(11)12-6-10(20)16-14(26-12)7-15(25-3)17(21)18(16)22/h4-7,19,21-22H,1-3H3 |
| Smiles | COC1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Orixa Japonica (Plant) Rel Props:Source_db:cmaup_ingredients