10H-1,3-Dioxolo[4,5-b]xanthen-10-one, 11-methoxy-
PubChem CID: 622890
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| Compound Synonyms | 63625-05-8, 10H-1,3-Dioxolo[4,5-b]xanthen-10-one, 11-methoxy-, 1-methoxy-2,3-methylenedioxyxanthone, 1-Methoxy-2,3-methylenedioxyanthrone, 11-Methoxy-10H-1,3-dioxolo[4,5-b]xanthen-10-one, DTXSID20347545, XEFLZEPEOLTAKR-UHFFFAOYSA-N, HY-N12785, DB-291305, CS-1050892, G89205, 11-Methoxy-10H-[1,3]dioxolo[4,5-b]xanthen-10-one # |
|---|---|
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 398.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-methoxy-[1,3]dioxolo[4,5-b]xanthen-10-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XEFLZEPEOLTAKR-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -4.365 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.793 |
| Compound Name | 10H-1,3-Dioxolo[4,5-b]xanthen-10-one, 11-methoxy- |
| 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 | -4.040188 |
| Inchi | InChI=1S/C15H10O5/c1-17-15-12-10(6-11-14(15)19-7-18-11)20-9-5-3-2-4-8(9)13(12)16/h2-6H,7H2,1H3 |
| Smiles | COC1=C2C(=CC3=C1OCO3)OC4=CC=CC=C4C2=O |
| Nring | 4.0 |
| 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