Lateropyrone
PubChem CID: 54692970
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| Compound Synonyms | Lateropyrone, Avenacein Y, 93752-78-4, methyl 5,9-dihydroxy-2-methyl-4,6-dioxopyrano[3,4-g]chromene-8-carboxylate, CHEMBL3086843, DTXSID30239563, CHEBI:201439, AKOS040750644, Methyl 5,9-dihydroxy-2-methyl-4,6-dioxo-4H,6H-pyrano[3,4-g]chromene-8-carboxylate |
|---|---|
| Topological Polar Surface Area | 119.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 646.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 5,9-dihydroxy-2-methyl-4,6-dioxopyrano[3,4-g]chromene-8-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C15H10O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JSQAILNRMPHAGO-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.684 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.004 |
| Compound Name | Lateropyrone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 318.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.038 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 318.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.452804182608696 |
| Inchi | InChI=1S/C15H10O8/c1-5-3-7(16)10-8(22-5)4-6-9(12(10)18)14(19)23-13(11(6)17)15(20)21-2/h3-4,17-18H,1-2H3 |
| Smiles | CC1=CC(=O)C2=C(O1)C=C3C(=C2O)C(=O)OC(=C3O)C(=O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Solida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Daniellia Oliveri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Physocarpus Opulifolius (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Picea Sitchensis (Plant) Rel Props:Source_db:npass_chem_all