10-O-Methylmacluraxanthone
PubChem CID: 71458306
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| Compound Synonyms | 10-O-Methylmacluraxanthone, 5,9-dihydroxy-10-methoxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)pyrano(3,2-b)xanthen-6-one, 5,9-dihydroxy-10-methoxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)pyrano[3,2-b]xanthen-6-one, CHEMBL2147811, 856428-88-1 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 727.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,9-dihydroxy-10-methoxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)pyrano[3,2-b]xanthen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C24H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XPXBUMXEOVNYQI-UHFFFAOYSA-N |
| Fcsp3 | 0.2916666666666667 |
| Logs | -3.126 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.694 |
| Compound Name | 10-O-Methylmacluraxanthone |
| 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 | -6.4194233333333335 |
| Inchi | InChI=1S/C24H24O6/c1-7-23(2,3)16-19-13(10-11-24(4,5)30-19)18(27)15-17(26)12-8-9-14(25)21(28-6)20(12)29-22(15)16/h7-11,25,27H,1H2,2-6H3 |
| Smiles | CC1(C=CC2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC4=C(C3=O)C=CC(=C4OC)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Linii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ilex Cornuta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Persicaria Sibirica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Tithonia Diversifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all