(4aR)-3,7-dihydroxy-9-methoxy-4a-methylbenzo[c]chromene-2,6-dione
PubChem CID: 163096091
Connections displayed (default: 10).
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| Topological Polar Surface Area | 93.1 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 563.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4aR)-3,7-dihydroxy-9-methoxy-4a-methylbenzo[c]chromene-2,6-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C15H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YWYZLBQRCUAQAV-OAHLLOKOSA-N |
| Fcsp3 | 0.2 |
| Logs | -4.079 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.589 |
| Compound Name | (4aR)-3,7-dihydroxy-9-methoxy-4a-methylbenzo[c]chromene-2,6-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 288.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8373095714285714 |
| Inchi | InChI=1S/C15H12O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-6,17-18H,1-2H3/t15-/m1/s1 |
| Smiles | C[C@@]12C=C(C(=O)C=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Ovalifolium (Plant) Rel Props:Source_db:cmaup_ingredients