Loureirin C
PubChem CID: 14157896
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| Compound Synonyms | Loureirin C, 116384-24-8, 3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one, CHEMBL253778, SCHEMBL7197296, CHEBI:180158, HY-N2604, LMPK12120600, ZB1871, AKOS037514513, AC-34431, DA-75087, MS-23858, CS-0023007, E88793 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 310.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C16H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LCKRZXFBCWYAKU-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.459 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.902 |
| Compound Name | Loureirin C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 272.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3810599999999997 |
| Inchi | InChI=1S/C16H16O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-4,6-8,10,17-18H,5,9H2,1H3 |
| Smiles | COC1=C(C=CC(=C1)O)CCC(=O)C2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dracaena Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all