2,6,4'-Trihydroxy-4-methoxybenzophenone
PubChem CID: 10467773
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| Compound Synonyms | 2,6,4'-trihydroxy-4-methoxybenzophenone, 55051-85-9, CHEMBL1078369, (2,6-dihydroxy-4-methoxyphenyl)-(4-hydroxyphenyl)methanone, SCHEMBL775483, BDBM50535251, AKOS040762843, FS-6878, CS-1169935, (2,6-Dihydroxy-4-methoxyphenyl)(4-hydroxyphenyl)methanone |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 299.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P28075 |
| Iupac Name | (2,6-dihydroxy-4-methoxyphenyl)-(4-hydroxyphenyl)methanone |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Is Pains | False |
| Molecular Formula | C14H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MYEMIGSUACCKND-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Rotatable Bond Count | 3.0 |
| Compound Name | 2,6,4'-Trihydroxy-4-methoxybenzophenone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.068 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 260.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 260.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.436487421052632 |
| Inchi | InChI=1S/C14H12O5/c1-19-10-6-11(16)13(12(17)7-10)14(18)8-2-4-9(15)5-3-8/h2-7,15-17H,1H3 |
| Smiles | COC1=CC(=C(C(=C1)O)C(=O)C2=CC=C(C=C2)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anemarrhena Asphodeloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all