3-[4,5-Dimethoxy-2-(2-methylbut-3-en-2-yl)phenyl]-5,7-dimethoxychromen-4-one
PubChem CID: 11661504
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| Compound Synonyms | CHEMBL491514 |
|---|---|
| Topological Polar Surface Area | 63.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 656.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[4,5-dimethoxy-2-(2-methylbut-3-en-2-yl)phenyl]-5,7-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C24H26O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AAXMSKLPUMPSGN-UHFFFAOYSA-N |
| Fcsp3 | 0.2916666666666667 |
| Logs | -6.314 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.472 |
| Compound Name | 3-[4,5-Dimethoxy-2-(2-methylbut-3-en-2-yl)phenyl]-5,7-dimethoxychromen-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 410.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 410.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 410.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.9761558666666685 |
| Inchi | InChI=1S/C24H26O6/c1-8-24(2,3)17-12-19(28-6)18(27-5)11-15(17)16-13-30-21-10-14(26-4)9-20(29-7)22(21)23(16)25/h8-13H,1H2,2-7H3 |
| Smiles | CC(C)(C=C)C1=CC(=C(C=C1C2=COC3=C(C2=O)C(=CC(=C3)OC)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Psorothamnus Arborescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all