1-Hydroxy-2,3-dimethoxyxanthen-9-one
PubChem CID: 71439574
Connections displayed (default: 10).
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| Topological Polar Surface Area | 65.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 371.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hydroxy-2,3-dimethoxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C15H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BQJUODDGBIJUDP-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.372 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.567 |
| Compound Name | 1-Hydroxy-2,3-dimethoxyxanthen-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 272.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.213487199999999 |
| Inchi | InChI=1S/C15H12O5/c1-18-11-7-10-12(14(17)15(11)19-2)13(16)8-5-3-4-6-9(8)20-10/h3-7,17H,1-2H3 |
| Smiles | COC1=C(C(=C2C(=C1)OC3=CC=CC=C3C2=O)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glaucium Flavum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Sesbania Bispinosa (Plant) Rel Props:Source_db:cmaup_ingredients