2-Hydroxyvertixanthone
PubChem CID: 14309394
Connections displayed (default: 10).
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| Compound Synonyms | 2-hydroxyvertixanthone, CHEBI:68716, methyl 2,8-dihydroxy-9-oxoxanthene-1-carboxylate, methyl 2,8-dihydroxy-9-oxo-9H-xanthene-1-carboxylate, Hydroxyvertixanthone, BS-1373, Q27137136 |
|---|---|
| Topological Polar Surface Area | 93.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 436.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2,8-dihydroxy-9-oxoxanthene-1-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C15H10O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RHTSTEXCCXSDAD-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -4.077 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.516 |
| Compound Name | 2-Hydroxyvertixanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 286.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.338515133333333 |
| Inchi | InChI=1S/C15H10O6/c1-20-15(19)12-8(17)5-6-10-13(12)14(18)11-7(16)3-2-4-9(11)21-10/h2-6,16-17H,1H3 |
| Smiles | COC(=O)C1=C(C=CC2=C1C(=O)C3=C(C=CC=C3O2)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Confusa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Davallia Mariesii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Erica Arborea (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Isodon Lihsienensis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Phoebe Clemensii (Plant) Rel Props:Source_db:cmaup_ingredients