CID 5320675
PubChem CID: 5320675
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL900825, CHEMBL458131, BDBM50548259, G78710, AR-683/11462508 |
|---|---|
| Topological Polar Surface Area | 59.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 425.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-3-hydroxy-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one |
| Prediction Hob | 1.0 |
| Target Id | NPT668, NPT1603, NPT1604 |
| Xlogp | 4.1 |
| Molecular Formula | C18H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IHWPQGIYXJKCOV-PTNGSMBKSA-N |
| Fcsp3 | 0.0555555555555555 |
| Logs | -4.461 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.229 |
| Compound Name | CID 5320675 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 294.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.4567426545454545 |
| Inchi | InChI=1S/C18H14O4/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11- |
| Smiles | COC1=C(C=CC2=C1C=CO2)C(=O)/C=C(/C3=CC=CC=C3)\O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Derris Indica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Tephrosia Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients