Myxotrichin D
PubChem CID: 139585373
Connections displayed (default: 10).
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| Compound Synonyms | Myxotrichin D, 8-hydroxy-2-methyl-4-oxo-5H-pyrano[3,2-c]chromene-10-carboxylic acid, 8-Hydroxy-2-methyl-4-oxo-4H,5H-pyrano(3,2-c)chromene-10-carboxylate, 8-Hydroxy-2-methyl-4-oxo-4H,5H-pyrano[3,2-c]chromene-10-carboxylate, 8-hydroxy-2-methyl-4-oxo-5H-pyrano(3,2-c)chromene-10-carboxylic acid, CHEBI:204948 |
|---|---|
| Topological Polar Surface Area | 93.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 532.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-hydroxy-2-methyl-4-oxo-5H-pyrano[3,2-c]chromene-10-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C14H10O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZDZPERPGSFSQEA-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -3.108 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.785 |
| Compound Name | Myxotrichin D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 274.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4583135999999997 |
| Inchi | InChI=1S/C14H10O6/c1-6-2-10(16)9-5-19-11-4-7(15)3-8(14(17)18)12(11)13(9)20-6/h2-4,15H,5H2,1H3,(H,17,18) |
| Smiles | CC1=CC(=O)C2=C(O1)C3=C(C=C(C=C3OC2)O)C(=O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Calypogeia Integristipula (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cirsium Brevistylum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Desmodium Oxyphyllum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Gentiana Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Putterlickia Verrucosa (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Vernonia Condensata (Plant) Rel Props:Source_db:cmaup_ingredients