Laurentinol
PubChem CID: 15895793
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| Compound Synonyms | Laurentinol, CHEMBL3958936, LMPK12111579, 3,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one, 244248-20-2 |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 503.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C17H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HORABUFWIBXDQQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.86 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.218 |
| Compound Name | Laurentinol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 330.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 330.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.247843733333333 |
| Inchi | InChI=1S/C17H14O7/c1-22-12-5-8(6-13(23-2)15(12)20)17-16(21)14(19)10-4-3-9(18)7-11(10)24-17/h3-7,18,20-21H,1-2H3 |
| Smiles | COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Millettia Laurentii (Plant) Rel Props:Source_db:cmaup_ingredients