Leptodactylone
PubChem CID: 442134
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| Compound Synonyms | Leptodactylone, 8-hydroxy-5,7-dimethoxychromen-2-one, 61899-44-3, CHEBI:6411, CHEMBL595334, C09271, AC1L9CAZ, 5,7-dimethoxy-8-hydroxycoumarin, DTXSID80331748, 8-hydroxy-5,7-dimethoxy-chromen-2-one, Q27107198 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 301.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-hydroxy-5,7-dimethoxychromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C11H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TUFLVKBJDSZLAW-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.32 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.208 |
| Compound Name | Leptodactylone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 222.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4284151999999997 |
| Inchi | InChI=1S/C11H10O5/c1-14-7-5-8(15-2)10(13)11-6(7)3-4-9(12)16-11/h3-5,13H,1-2H3 |
| Smiles | COC1=CC(=C(C2=C1C=CC(=O)O2)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lobelia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all