(4R)-5,6-dihydroxy-4,8,8-trimethyl-1,4,9,10-tetrahydropyrano[4,3-f]chromen-2-one
PubChem CID: 162913858
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| Topological Polar Surface Area | 76.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 407.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4R)-5,6-dihydroxy-4,8,8-trimethyl-1,4,9,10-tetrahydropyrano[4,3-f]chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C15H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KJPBBHSWGGVSHR-SSDOTTSWSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -3.291 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.711 |
| Compound Name | (4R)-5,6-dihydroxy-4,8,8-trimethyl-1,4,9,10-tetrahydropyrano[4,3-f]chromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 278.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 278.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0159847999999996 |
| Inchi | InChI=1S/C15H18O5/c1-7-11-9(6-10(16)19-7)8-4-5-15(2,3)20-14(8)13(18)12(11)17/h7,17-18H,4-6H2,1-3H3/t7-/m1/s1 |
| Smiles | C[C@@H]1C2=C(C(=C3C(=C2CC(=O)O1)CCC(O3)(C)C)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Actaea Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Selaginella Doederleinii (Plant) Rel Props:Source_db:cmaup_ingredients