5-Hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
PubChem CID: 13545810
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| Compound Synonyms | CHEMBL3609149, BDBM50115097 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 424.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00591 |
| Iupac Name | 5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C14H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MMGLCBWVIVENBV-UHFFFAOYSA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -3.277 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.57 |
| Compound Name | 5-Hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 244.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6096363111111107 |
| Inchi | InChI=1S/C14H12O4/c1-14(2)5-3-8-10(18-14)7-11-12(13(8)16)9(15)4-6-17-11/h3-7,16H,1-2H3 |
| Smiles | CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C=CO3)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cudrania Tricuspidata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all