Myxotrichin C
PubChem CID: 139588029
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| Compound Synonyms | Myxotrichin C, 7,8-dihydroxy-3-methyl-1H-pyrano[4,3-b]chromen-10-one, 7,8-dihydroxy-3-methyl-1H-pyrano(4,3-b)chromen-10-one, CHEBI:205927 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 450.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,8-dihydroxy-3-methyl-1H-pyrano[4,3-b]chromen-10-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C13H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MMMHCJBWWHOBSS-UHFFFAOYSA-N |
| Fcsp3 | 0.1538461538461538 |
| Logs | -3.143 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.58 |
| Compound Name | Myxotrichin C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 246.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 246.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.420262711111111 |
| Inchi | InChI=1S/C13H10O5/c1-6-2-11-8(5-17-6)13(16)7-3-9(14)10(15)4-12(7)18-11/h2-4,14-15H,5H2,1H3 |
| Smiles | CC1=CC2=C(CO1)C(=O)C3=CC(=C(C=C3O2)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