2-(3-Hydroxy-4,5-dimethoxyphenyl)-3,5,6,7-tetramethoxychromen-4-one
PubChem CID: 162939233
Connections displayed (default: 10).
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| Topological Polar Surface Area | 102.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 636.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6,7-tetramethoxychromen-4-one |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | 2.9 |
| Is Pains | False |
| Molecular Formula | C21H22O9 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YVPMEHQFKWNMQP-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Rotatable Bond Count | 7.0 |
| Compound Name | 2-(3-Hydroxy-4,5-dimethoxyphenyl)-3,5,6,7-tetramethoxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 418.126 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 418.126 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 418.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.803134266666668 |
| Inchi | InChI=1S/C21H22O9/c1-24-13-8-10(7-11(22)18(13)26-3)17-21(29-6)16(23)15-12(30-17)9-14(25-2)19(27-4)20(15)28-5/h7-9,22H,1-6H3 |
| Smiles | COC1=CC(=CC(=C1OC)O)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Adiantum Monochlamys (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Baileya Pauciradiata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Crinum Yemense (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Vicia Faba (Plant) Rel Props:Source_db:cmaup_ingredients