Globulixanthone C
PubChem CID: 5317656
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| Compound Synonyms | Globulixanthone C, 6,8,9-trihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one, 1,7,8-Trihydroxy-2,2-dimethylpyrano[5',6':3,4]xanthone, 3H,7H-pyrano[2,3-c]xanthen-7-one, 6,8,9-trihydroxy-3,3-dimethyl-, 6,8,9-trihydroxy-3,3-dimethyl-3H,7H-pyrano[2,3-c]xanthen-7-one, 6,8,9-Trihydroxy-3,3-dimethyl-3H-4,12-dioxa-benzo[a]anthracen-7-one, 1,7,8-Trihydroxy-2,2-dimethylpyrano(5',6':3,4)xanthone, 6,8,9-trihydroxy-3,3-dimethylpyrano(2,3-c)xanthen-7-one, 6,8,9-trihydroxy-3,3-dimethyl-3H,7H-pyrano(2,3-c)xanthen-7-one, 3H,7H-pyrano(2,3-c)xanthen-7-one, 6,8,9-trihydroxy-3,3-dimethyl-, 6,8,9-Trihydroxy-3,3-dimethyl-3H-4,12-dioxa-benzo(a)anthracen-7-one, 478688-17-4 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 558.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,8,9-trihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C18H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QFCIGJXDFQIUTI-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.265 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.879 |
| Compound Name | Globulixanthone C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 326.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.764351466666666 |
| Inchi | InChI=1S/C18H14O6/c1-18(2)6-5-8-12(24-18)7-10(20)13-16(22)14-11(23-17(8)13)4-3-9(19)15(14)21/h3-7,19-21H,1-2H3 |
| Smiles | CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C(=C(C=C4)O)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Symphonia Globulifera (Plant) Rel Props:Source_db:cmaup_ingredients