5,8-Dihydroxy-9-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one
PubChem CID: 118735082
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| Compound Synonyms | CHEMBL3421658 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 723.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,8-dihydroxy-9-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C24H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MUSWPRFAQWBVJW-UHFFFAOYSA-N |
| Fcsp3 | 0.2916666666666667 |
| Logs | -3.188 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.427 |
| Compound Name | 5,8-Dihydroxy-9-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 408.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 408.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 408.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.406823333333334 |
| Inchi | InChI=1S/C24H24O6/c1-12(2)6-7-14-19-16(11-18(28-5)21(14)25)29-17-10-15-13(8-9-24(3,4)30-15)22(26)20(17)23(19)27/h6,8-11,25-26H,7H2,1-5H3 |
| Smiles | CC(=CCC1=C2C(=CC(=C1O)OC)OC3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Cowa (Plant) Rel Props:Source_db:cmaup_ingredients