Diplotasin
PubChem CID: 54672086
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| Compound Synonyms | Diplotasin, CHEBI:69450, DTXSID901149828, Q27137786, 4-hydroxy-3,10,11-trimethoxyisochromeno[4,3-b]chromen-7(5H)-one, 4-Hydroxy-3,10,11-trimethoxy[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one, 1332481-41-0 |
|---|---|
| Topological Polar Surface Area | 83.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 588.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-3,10,11-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Is Pains | False |
| Molecular Formula | C19H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DDMDVSWCBPTIHI-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Rotatable Bond Count | 3.0 |
| Compound Name | Diplotasin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 356.09 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 356.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 356.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.509930615384616 |
| Inchi | InChI=1S/C19H16O7/c1-22-12-6-4-9-11(14(12)20)8-25-19-15(21)10-5-7-13(23-2)18(24-3)17(10)26-16(9)19/h4-7,20H,8H2,1-3H3 |
| Smiles | COC1=C(C2=C(C=C1)C3=C(C(=O)C4=C(O3)C(=C(C=C4)OC)OC)OC2)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mimosa Diplotricha (Plant) Rel Props:Source_db:cmaup_ingredients