(+)-Galeon
PubChem CID: 16116346
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| Compound Synonyms | (+)-Galeon, 191999-64-1, Galeon, 4-hydroxy-17-methoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one, CHEMBL465859, CHEBI:175168, DTXSID101118328, 2-Oxatricyclo[13.2.2.13,7]eicosa-3,5,7(20),15,17,18-hexaen-10-one, 4-hydroxy-17-methoxy-, (R)-, 4-hydroxy-18-methoxy-2-oxatricyclo[13.2.2.1^{3,7}]icosa-1(17),3,5,7(20),15,18-hexaen-10-one |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 410.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-17-methoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C20H22O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QUSSPXNPULRXKG-UHFFFAOYSA-N |
| Fcsp3 | 0.35 |
| Logs | -4.628 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.204 |
| Compound Name | (+)-Galeon |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 326.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 326.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.649830400000001 |
| Inchi | InChI=1S/C20H22O4/c1-23-20-13-14-4-2-3-5-16(21)9-6-15-7-10-17(22)19(12-15)24-18(20)11-8-14/h7-8,10-13,22H,2-6,9H2,1H3 |
| Smiles | COC1=C2C=CC(=C1)CCCCC(=O)CCC3=CC(=C(C=C3)O)O2 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Mandshurica (Plant) Rel Props:Source_db:cmaup_ingredients