3,5-Dihydroxy-4-methoxy-xanthen-9-one
PubChem CID: 5493669
Connections displayed (default: 10).
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| Compound Synonyms | 3,5-dihydroxy-4-methoxy-xanthen-9-one, 3,5-Dihydroxy-4-methoxy-9H-xanthen-9-one |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 358.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-dihydroxy-4-methoxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C14H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JNQLXRMQDHWYIN-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.739 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.365 |
| Compound Name | 3,5-Dihydroxy-4-methoxy-xanthen-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 258.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.665382957894737 |
| Inchi | InChI=1S/C14H10O5/c1-18-14-10(16)6-5-8-11(17)7-3-2-4-9(15)12(7)19-13(8)14/h2-6,15-16H,1H3 |
| Smiles | COC1=C(C=CC2=C1OC3=C(C2=O)C=CC=C3O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Anomala (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artocarpus Integra (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Eupatorium Sachalinense (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Leptochloa Digitata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Pinus Heldreichii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Piper Umbellatum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Senecio Brasiliensis (Plant) Rel Props:Source_db:cmaup_ingredients