(3R)-4,5-dihydroxy-3,7,7-trimethyl-8,9-dihydro-3H-furo[3,4-f]chromen-1-one
PubChem CID: 162983137
Connections displayed (default: 10).
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| Topological Polar Surface Area | 76.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 393.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-4,5-dihydroxy-3,7,7-trimethyl-8,9-dihydro-3H-furo[3,4-f]chromen-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C14H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VXRIEWIAVSRHJN-ZCFIWIBFSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.246 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.385 |
| Compound Name | (3R)-4,5-dihydroxy-3,7,7-trimethyl-8,9-dihydro-3H-furo[3,4-f]chromen-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 264.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9848016105263158 |
| Inchi | InChI=1S/C14H16O5/c1-6-8-9(13(17)18-6)7-4-5-14(2,3)19-12(7)11(16)10(8)15/h6,15-16H,4-5H2,1-3H3/t6-/m1/s1 |
| Smiles | C[C@@H]1C2=C(C(=C3C(=C2C(=O)O1)CCC(O3)(C)C)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lactuca Serriola (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Myrica Nagi (Plant) Rel Props:Source_db:cmaup_ingredients