2',3'-Dihydroochnaflavone
PubChem CID: 10437291
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2',3'-Dihydroochnaflavone, CHEMBL516700 |
|---|---|
| Topological Polar Surface Area | 163.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 976.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[3-[4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.0 |
| Molecular Formula | C30H20O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VNCWZYPKAQUABQ-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -5.457 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.994 |
| Compound Name | 2',3'-Dihydroochnaflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 540.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 540.106 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 540.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.109876000000002 |
| Inchi | InChI=1S/C30H20O10/c31-16-8-20(34)29-22(36)12-24(39-27(29)10-16)14-1-4-18(5-2-14)38-26-7-15(3-6-19(26)33)25-13-23(37)30-21(35)9-17(32)11-28(30)40-25/h1-11,13,24,31-35H,12H2 |
| Smiles | C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OC4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ochna Integerrima (Plant) Rel Props:Source_db:npass_chem_all