Corylifol A
PubChem CID: 25056407
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Corylifol A, 775351-88-7, 3-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-7-hydroxychromen-4-one, 3-[3-[(2E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL]-4-HYDROXYPHENYL]-7-HYDROXY-4H-1-BENZOPYRAN-4-ONE, Corylifol A (Standard), CHEMBL4207318, SCHEMBL23028385, HY-N0897R, DTXSID401345950, BCP18858, HY-N0897, AKOS032948982, CS-3753, AC-34049, FC145219, MS-26509, NS00097151, 7,4'-dihydroxy-3'-[(e)-3,7-dimethyl2,6-octadienyl] isoflavone |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 670.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-7-hydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.3 |
| Molecular Formula | C25H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZBHUUXLHDOUMKM-REZTVBANSA-N |
| Fcsp3 | 0.24 |
| Logs | -2.577 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.253 |
| Compound Name | Corylifol A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 390.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 390.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 390.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.713045662068966 |
| Inchi | InChI=1S/C25H26O4/c1-16(2)5-4-6-17(3)7-8-19-13-18(9-12-23(19)27)22-15-29-24-14-20(26)10-11-21(24)25(22)28/h5,7,9-15,26-27H,4,6,8H2,1-3H3/b17-7+ |
| Smiles | CC(=CCC/C(=C/CC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)/C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cullen Corylifolium (Plant) Rel Props:Source_db:cmaup_ingredients