Vertixanthone
PubChem CID: 14309393
Connections displayed (default: 10).
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| Compound Synonyms | Vertixanthone, Compound NP-007868, DTXSID201349075, AKOS040739422, 120461-93-0 |
|---|---|
| Topological Polar Surface Area | 72.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 407.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 8-hydroxy-9-oxoxanthene-1-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C15H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HXAFEJLAMMEJCI-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -3.796 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.562 |
| Compound Name | Vertixanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 270.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1442879999999995 |
| Inchi | InChI=1S/C15H10O5/c1-19-15(18)8-4-2-6-10-12(8)14(17)13-9(16)5-3-7-11(13)20-10/h2-7,16H,1H3 |
| Smiles | COC(=O)C1=C2C(=CC=C1)OC3=CC=CC(=C3C2=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