Benzocamphorin D
PubChem CID: 54670182
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| Compound Synonyms | Benzocamphorin D, 4,7-dimethoxy-5-[(7-methoxy-6-methyl-1,3-benzodioxol-4-yl)oxy]-6-methyl-1,3-benzodioxole, 4,7-dimethoxy-5-((7-methoxy-6-methyl-1,3-benzodioxol-4-yl)oxy)-6-methyl-1,3-benzodioxole, CHEBI:200084 |
|---|---|
| Topological Polar Surface Area | 73.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 504.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,7-dimethoxy-5-[(7-methoxy-6-methyl-1,3-benzodioxol-4-yl)oxy]-6-methyl-1,3-benzodioxole |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C19H20O8 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UWSFOKXOTLMKRU-UHFFFAOYSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -5.222 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.467 |
| Compound Name | Benzocamphorin D |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 376.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.116 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 376.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.5159270888888905 |
| Inchi | InChI=1S/C19H20O8/c1-9-6-11(15-17(12(9)20-3)24-7-23-15)27-14-10(2)13(21-4)18-19(16(14)22-5)26-8-25-18/h6H,7-8H2,1-5H3 |
| Smiles | CC1=CC(=C2C(=C1OC)OCO2)OC3=C(C4=C(C(=C3C)OC)OCO4)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Colubrina Asiatica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mosla Scabra (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Orthosiphon Wulfenioides (Plant) Rel Props:Source_db:cmaup_ingredients