1-Methoxy-2,3,7,8-dimethylenedioxyxanthone
PubChem CID: 637216
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-Methoxy-2,3,7,8-dimethylenedioxyxanthone, 11-methoxy-12H-bis[1,3]dioxolo[4,5-a:4',5'-i]xanthen-12-one, 12H-1,3-dioxolo[4,5-a][1,3]dioxolo[4,5-i]xanthen-12-one, 11-methoxy-, 11-methoxy-12H-bis(1,3)dioxolo(4,5-a:4',5'-i)xanthen-12-one, 12H-1,3-dioxolo(4,5-a)(1,3)dioxolo(4,5-i)xanthen-12-one, 11-methoxy-, 20-methoxy-5,7,12,16,18-pentaoxapentacyclo(11.7.0.03,11.04,8.015,19)icosa-1(20),3(11),4(8),9,13,15(19)-hexaen-2-one, 20-methoxy-5,7,12,16,18-pentaoxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),9,13,15(19)-hexaen-2-one |
|---|---|
| Topological Polar Surface Area | 72.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 497.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 20-methoxy-5,7,12,16,18-pentaoxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),9,13,15(19)-hexaen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C16H10O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PTJSZWUOJVHUMY-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -4.668 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.68 |
| Compound Name | 1-Methoxy-2,3,7,8-dimethylenedioxyxanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.043 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 314.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.125778582608696 |
| Inchi | InChI=1S/C16H10O7/c1-18-16-12-9(4-10-15(16)22-6-20-10)23-7-2-3-8-14(21-5-19-8)11(7)13(12)17/h2-4H,5-6H2,1H3 |
| Smiles | COC1=C2C(=CC3=C1OCO3)OC4=C(C2=O)C5=C(C=C4)OCO5 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Jagera Pseudorhus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Linum Catharticum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Myristica Gigantea (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Nothofagus Pumilio (Plant) Rel Props:Source_db:cmaup_ingredients