5-Hydroxy-7-methoxy-3-(7-methoxy-2,2-dimethylchromen-6-yl)-2,3-dihydrochromen-4-one
PubChem CID: 10883453
Connections displayed (default: 10).
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| Topological Polar Surface Area | 74.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 616.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-7-methoxy-3-(7-methoxy-2,2-dimethylchromen-6-yl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C22H22O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QXPUHSMJCUBFPG-UHFFFAOYSA-N |
| Fcsp3 | 0.3181818181818182 |
| Logs | -4.976 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.888 |
| Compound Name | 5-Hydroxy-7-methoxy-3-(7-methoxy-2,2-dimethylchromen-6-yl)-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 382.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 382.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.931997257142857 |
| Inchi | InChI=1S/C22H22O6/c1-22(2)6-5-12-7-14(18(26-4)10-17(12)28-22)15-11-27-19-9-13(25-3)8-16(23)20(19)21(15)24/h5-10,15,23H,11H2,1-4H3 |
| Smiles | CC1(C=CC2=CC(=C(C=C2O1)OC)C3COC4=CC(=CC(=C4C3=O)O)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Poeppigiana (Plant) Rel Props:Source_db:cmaup_ingredients