Eriostemin
PubChem CID: 633062
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| Compound Synonyms | Eriostemin, 4H-1-Benzopyran-4-one, 3,8-dihydroxy-5,6,7-trimethoxy-2-(4-methoxyphenyl)-, 3,8-dihydroxy-5,6,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one, LMPK12113313, 40522-42-7, 3,8-Dihydroxy-5,6,7-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one # |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 568.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,8-dihydroxy-5,6,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C19H18O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DPSDGYYKOBXAJS-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -3.693 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.562 |
| Compound Name | Eriostemin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 374.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 374.1 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 374.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.516857518518519 |
| Inchi | InChI=1S/C19H18O8/c1-23-10-7-5-9(6-8-10)15-13(21)12(20)11-16(27-15)14(22)18(25-3)19(26-4)17(11)24-2/h5-8,21-22H,1-4H3 |
| Smiles | COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arisaema Amurense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Nauclea Diderrichii (Plant) Rel Props:Source_db:cmaup_ingredients