Carpachromene dimethyl ether
PubChem CID: 14607844
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| Compound Synonyms | Carpachromene dimethyl ether, Di-O-methylcarpachromene, 5-methoxy-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one, 5-methoxy-8-(4-methoxyphenyl)-2,2-dimethylpyrano(3,2-g)chromen-6-one, CHEBI:187698, LMPK12110959, AKOS032948671, 61828-61-3 |
|---|---|
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 629.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C22H20O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SLFBWUSMSGUNQP-UHFFFAOYSA-N |
| Fcsp3 | 0.2272727272727272 |
| Logs | -5.072 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.891 |
| Compound Name | Carpachromene dimethyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 364.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 364.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 364.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.39357991851852 |
| Inchi | InChI=1S/C22H20O5/c1-22(2)10-9-15-18(27-22)12-19-20(21(15)25-4)16(23)11-17(26-19)13-5-7-14(24-3)8-6-13/h5-12H,1-4H3 |
| Smiles | CC1(C=CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)C4=CC=C(C=C4)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ventilago Leiocarpa (Plant) Rel Props:Source_db:cmaup_ingredients