Cynandione A
PubChem CID: 10063465
Connections displayed (default: 10).
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| Compound Synonyms | cynandione A, 168706-29-4, 1,1'-(2',3,6,6'-Tetrahydroxy-[1,1'-biphenyl]-2,3'-diyl)diethanone, 1-[3-(2-ACETYL-3,6-DIHYDROXYPHENYL)-2,4-DIHYDROXYPHENYL]ETHANONE, 1-(3-(2-acetyl-3,6-dihydroxyphenyl)-2,4-dihydroxyphenyl)ethanone, SY340778, CS-0141613, 2,3'-diacetyl-2',3,6,6'-tetrahydroxybiphenyl, 1,1 inverted exclamation mark -(2 inverted exclamation mark ,3,6,6 inverted exclamation mark -Tetrahydroxy-[1,1 inverted exclamation mark -biphenyl]-2,3 inverted exclamation mark -diyl)diethanone |
|---|---|
| Topological Polar Surface Area | 115.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 436.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[3-(2-acetyl-3,6-dihydroxyphenyl)-2,4-dihydroxyphenyl]ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C16H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DYQDHRLBSZIKEM-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.194 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.037 |
| Compound Name | Cynandione A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 302.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5577847636363638 |
| Inchi | InChI=1S/C16H14O6/c1-7(17)9-3-4-12(21)15(16(9)22)14-11(20)6-5-10(19)13(14)8(2)18/h3-6,19-22H,1-2H3 |
| Smiles | CC(=O)C1=C(C(=C(C=C1)O)C2=C(C=CC(=C2C(=O)C)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Croton Urucurana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cynanchum Wilfordii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Flemingia Philippinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Indigofera Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Mesembryanthemum Tortuosum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Randia Formosa (Plant) Rel Props:Source_db:cmaup_ingredients