Cyclovariegatin
PubChem CID: 137185900
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| Compound Synonyms | Cyclovariegatin, JP8UL2J9LA, UNII-JP8UL2J9LA, 55692-59-6, 1,4-Dibenzofurandione, 3-(3,4-dihydroxyphenyl)-2,7,8-trihydroxy-, 3-(3,4-Dihydroxyphenyl)-2,7,8-trihydroxy-1,4-dibenzofurandione, DTXSID301178863 |
|---|---|
| Topological Polar Surface Area | 148.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 658.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(3,4-dihydroxyphenyl)-2,7,8-trihydroxydibenzofuran-1,4-dione |
| Prediction Hob | 0.0 |
| Xlogp | 2.3 |
| Molecular Formula | C18H10O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YXRBIRYXOSYHBV-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -5.091 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.132 |
| Compound Name | Cyclovariegatin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.038 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 354.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.821197076923077 |
| Inchi | InChI=1S/C18H10O8/c19-8-2-1-6(3-9(8)20)13-15(23)16(24)14-7-4-10(21)11(22)5-12(7)26-18(14)17(13)25/h1-5,19-23H |
| Smiles | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C2=O)OC4=CC(=C(C=C43)O)O)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Montana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Derris Amazonica (Plant) Rel Props:Source_db:cmaup_ingredients