3-(2,4-Dihydroxy-5-methoxyphenyl)-7-hydroxychromen-2-one
PubChem CID: 11289578
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| Compound Synonyms | CHEMBL467202 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 462.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2,4-dihydroxy-5-methoxyphenyl)-7-hydroxychromen-2-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Is Pains | False |
| Molecular Formula | C16H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GOLZJJBLFNFAPH-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 3-(2,4-Dihydroxy-5-methoxyphenyl)-7-hydroxychromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.063 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 300.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 300.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9268310181818182 |
| Inchi | InChI=1S/C16H12O6/c1-21-15-6-10(12(18)7-13(15)19)11-4-8-2-3-9(17)5-14(8)22-16(11)20/h2-7,17-19H,1H3 |
| Smiles | COC1=C(C=C(C(=C1)C2=CC3=C(C=C(C=C3)O)OC2=O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Louvelii (Plant) Rel Props:Source_db:cmaup_ingredients