Ophiopogonanone F
PubChem CID: 5318201
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| Compound Synonyms | Ophiopogonanone F, 588706-67-6, 7-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methyl]-5,8-dimethoxy-6-methyl-2,3-dihydrochromen-4-one, 7-hydroxy-3-((2-hydroxy-4-methoxyphenyl)methyl)-5,8-dimethoxy-6-methyl-2,3-dihydro-1-benzopyran-4-one, 7-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methyl]-5,8-dimethoxy-6-methyl-2,3-dihydro-1-benzopyran-4-one, NYA70667, AKOS032962637, 7-Hydroxy-5,8-dimethoxy-6-methyl-3-(2'-hydroxy-4'-methoxybenzyl)chroman-4-one, CS-0023329 |
|---|---|
| Topological Polar Surface Area | 94.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 513.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methyl]-5,8-dimethoxy-6-methyl-2,3-dihydrochromen-4-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Is Pains | False |
| Molecular Formula | C20H22O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BWBMGXRBGCGOPN-UHFFFAOYSA-N |
| Fcsp3 | 0.35 |
| Rotatable Bond Count | 5.0 |
| Compound Name | Ophiopogonanone F |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 374.137 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 374.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 374.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.006000688888889 |
| Inchi | InChI=1S/C20H22O7/c1-10-16(22)20(26-4)19-15(18(10)25-3)17(23)12(9-27-19)7-11-5-6-13(24-2)8-14(11)21/h5-6,8,12,21-22H,7,9H2,1-4H3 |
| Smiles | CC1=C(C(=C2C(=C1OC)C(=O)C(CO2)CC3=C(C=C(C=C3)OC)O)OC)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Liriope Muscari (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ophiopogon Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients