Umckalin
PubChem CID: 5316862
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| Compound Synonyms | Umckalin, 43053-62-9, 7-hydroxy-5,6-dimethoxychromen-2-one, 7-hydroxy-5,6-dimethoxy-2H-chromen-2-one, 2H-1-Benzopyran-2-one, 7-hydroxy-5,6-dimethoxy-, 7-hydroxy-5,6-dimethoxycoumarin, DTXSID80195665, 2H-1-Benzopyran-2-one, 7-hydroxy-5,6-dimethoxy-, 7-Hydroxy-5,6-dimethoxy-2H-1-benzopyran-2-one, Umckalin, Umckalin, HPLC Grade, NBS6Y7MTS8, 7-Hydroxy-5,6-dimethoxy-2H-1-benzopyran-2-one, Umckalin, analytical standard, SCHEMBL21623725, DTXCID20118156, DVBPETFXQYSHLJ-UHFFFAOYSA-N, HY-N8712, MFCD16036238, AKOS040760039, FH74307, DS-017096, 7-hydroxy-5,6-di Methoxycoumarin(Umckalin), CS-0148959, 664-001-3 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 301.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-5,6-dimethoxychromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C11H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DVBPETFXQYSHLJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.118 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.413 |
| Compound Name | Umckalin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 222.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4284151999999997 |
| Inchi | InChI=1S/C11H10O5/c1-14-10-6-3-4-9(13)16-8(6)5-7(12)11(10)15-2/h3-5,12H,1-2H3 |
| Smiles | COC1=C(C(=CC2=C1C=CC(=O)O2)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alisma Plantago (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Alisma Plantago-Aquatica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients