1,8-dihydroxy-9,10-dimethoxy-5H-isochromeno[4,3-b]chromen-7-one
PubChem CID: 10947850
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| Topological Polar Surface Area | 94.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 574.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,8-dihydroxy-9,10-dimethoxy-5H-isochromeno[4,3-b]chromen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C18H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QVHFICYAHDSZBK-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.913 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.515 |
| Compound Name | 1,8-dihydroxy-9,10-dimethoxy-5H-isochromeno[4,3-b]chromen-7-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6520786000000003 |
| Inchi | InChI=1S/C18H14O7/c1-22-11-6-10-13(14(20)16(11)23-2)15(21)18-17(25-10)12-8(7-24-18)4-3-5-9(12)19/h3-6,19-20H,7H2,1-2H3 |
| Smiles | COC1=C(C(=C2C(=C1)OC3=C(C2=O)OCC4=C3C(=CC=C4)O)O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Iris Bungei (Plant) Rel Props:Source_db:cmaup_ingredients