Arcapillin
PubChem CID: 158311
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| Compound Synonyms | Arcapillin, 83162-82-7, 2-(2,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one, S53LT52TKY, 2-(2,4-DIHYDROXY-5-METHOXYPHENYL)-5-HYDROXY-6,7-DIMETHOXY-4H-1-BENZOPYRAN-4-ONE, 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-6,7-dimethoxy-, CHEBI:81339, DTXSID001003170, 2',4',5-trihydroxy-5',6,7-trimethoxyflavone, UNII-S53LT52TKY, SCHEMBL8814714, DTXCID901430089, LMPK12111282, AKOS040747840, DA-71025, HY-121020, CS-0079291, C17787, 5,2',4'-trihydroxy-6,7,5'-trimethoxy flavone, Q15634194, 2-(2,4-dihydroxy-5-methoxy-phenyl)-5-hydroxy-6,7-dimethoxy-chromen-4-one, 2-(2,4-Dihydroxy-5-methoxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-chromen-4-one |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C18H16O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IZWKTABKAJGBFW-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.659 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.375 |
| Compound Name | Arcapillin |
| 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/c1-23-13-4-8(9(19)5-10(13)20)12-6-11(21)16-14(26-12)7-15(24-2)18(25-3)17(16)22/h4-7,19-20,22H,1-3H3 |
| Smiles | COC1=C(C=C(C(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Capillaries (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all