(7,8-Dihydroxy-2,2-dimethylchromen-6-yl)-(3-hydroxyphenyl)methanone
PubChem CID: 118722303
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| Compound Synonyms | CHEMBL3357569 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 486.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (7,8-dihydroxy-2,2-dimethylchromen-6-yl)-(3-hydroxyphenyl)methanone |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C18H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ASSSQKWXNKLYGG-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.616 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.896 |
| Compound Name | (7,8-Dihydroxy-2,2-dimethylchromen-6-yl)-(3-hydroxyphenyl)methanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 312.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.342577156521739 |
| Inchi | InChI=1S/C18H16O5/c1-18(2)7-6-11-9-13(15(21)16(22)17(11)23-18)14(20)10-4-3-5-12(19)8-10/h3-9,19,21-22H,1-2H3 |
| Smiles | CC1(C=CC2=CC(=C(C(=C2O1)O)O)C(=O)C3=CC(=CC=C3)O)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