1,7-Dihydroxy-2,3-Methylenedioxyxanthone
PubChem CID: 5316803
Connections displayed (default: 10).
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| Compound Synonyms | 1,7-Dihydroxy-2,3-methylenedioxyxanthone, 183210-63-1, 8,11-dihydroxy-[1,3]dioxolo[4,5-b]xanthen-10-one, 8,11-Dihydroxy-10H-[1,3]dioxolo[4,5-b]xanthen-10-one, 8,11-dihydroxy-(1,3)dioxolo(4,5-b)xanthen-10-one, CHEMBL2436930, SCHEMBL26679504, HY-N4291, AKOS037515057, DA-49035, CS-0032649, 8,11-dihydroxy-2H-[1,3]dioxolo[4,5-b]xanthen-10-one |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 412.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8,11-dihydroxy-[1,3]dioxolo[4,5-b]xanthen-10-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C14H8O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BMRWSZGEVSNEOM-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.718 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.366 |
| Compound Name | 1,7-Dihydroxy-2,3-Methylenedioxyxanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.032 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 272.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0365144 |
| Inchi | InChI=1S/C14H8O6/c15-6-1-2-8-7(3-6)12(16)11-9(20-8)4-10-14(13(11)17)19-5-18-10/h1-4,15,17H,5H2 |
| Smiles | C1OC2=C(O1)C(=C3C(=C2)OC4=C(C3=O)C=C(C=C4)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Derris Elliptica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Glaucium Flavum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Indigofera Hirsuta (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Isodon Setschwanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Justicia Tranquebariensis (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Pogostemon Parviflorus (Plant) Rel Props:Source_db:npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Polygala Arillata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Polygala Fallax (Plant) Rel Props:Source_db:npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Sesbania Bispinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all