Pterolinus L
PubChem CID: 53388318
Connections displayed (default: 10).
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| Compound Synonyms | Pterolinus L, CHEMBL1829657, (E)-3-(2,5-dihydroxy-4-methoxyphenyl)-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 423.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | (E)-3-(2,5-dihydroxy-4-methoxyphenyl)-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C17H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LHLLBACWHOWRGG-HWKANZROSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.39 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.784 |
| Compound Name | Pterolinus L |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 316.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.4763027565217395 |
| Inchi | InChI=1S/C17H16O6/c1-22-16-6-4-10(7-14(16)20)12(18)5-3-11-8-15(21)17(23-2)9-13(11)19/h3-9,19-21H,1-2H3/b5-3+ |
| Smiles | COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2O)OC)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pterocarpus Santalinus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all