5,9-Dihydroxy-8-methoxy-2-methyl-2-(4-methylpent-3-enyl)pyrano[3,2-b]xanthen-6-one
PubChem CID: 118735080
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| Compound Synonyms | CHEMBL3421656 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 712.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,9-dihydroxy-8-methoxy-2-methyl-2-(4-methylpent-3-enyl)pyrano[3,2-b]xanthen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C24H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BOWMLGYDVCBFQT-UHFFFAOYSA-N |
| Fcsp3 | 0.2916666666666667 |
| Logs | -3.382 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.503 |
| Compound Name | 5,9-Dihydroxy-8-methoxy-2-methyl-2-(4-methylpent-3-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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.3534233333333345 |
| Inchi | InChI=1S/C24H24O6/c1-13(2)6-5-8-24(3)9-7-14-18(30-24)12-20-21(22(14)26)23(27)15-10-19(28-4)16(25)11-17(15)29-20/h6-7,9-12,25-26H,5,8H2,1-4H3 |
| Smiles | CC(=CCCC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C4=CC(=C(C=C4O3)O)OC)C)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