Graphislactone G
PubChem CID: 11500722
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| Compound Synonyms | Graphislactone G, CHEBI:188821, 2-chloro-7-hydroxy-3,9-dimethoxy-1-methylbenzo[c]chromen-6-one, 2-Chloro-7-hydroxy-3,9-dimethoxy-1-methyl-6H-benzo[c]chromen-6-one |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 431.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-chloro-7-hydroxy-3,9-dimethoxy-1-methylbenzo[c]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C16H13ClO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CQEQTGQGSHCEQL-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -6.398 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.535 |
| Compound Name | Graphislactone G |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 320.045 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 320.045 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 320.72 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.0906226909090915 |
| Inchi | InChI=1S/C16H13ClO5/c1-7-13-9-4-8(20-2)5-10(18)14(9)16(19)22-11(13)6-12(21-3)15(7)17/h4-6,18H,1-3H3 |
| Smiles | CC1=C2C(=CC(=C1Cl)OC)OC(=O)C3=C2C=C(C=C3O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Inula Helenium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Maytenus Mossambicensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Pinellia Pedatisecta (Plant) Rel Props:Source_db:cmaup_ingredients