1,2-Dihydroxymintlactone
PubChem CID: 131180722
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| Compound Synonyms | 1,2-dihydroxymintlactone, CHEBI:200495, (6S,7R,7aS)-6,7-dihydroxy-3,6-dimethyl-4,5,7,7a-tetrahydro-1-benzouran-2-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 320.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (6S,7R,7aS)-6,7-dihydroxy-3,6-dimethyl-4,5,7,7a-tetrahydro-1-benzofuran-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.5 |
| Molecular Formula | C10H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DIOYTQUSBRSEBD-XKSSXDPKSA-N |
| Fcsp3 | 0.7 |
| Logs | -1.598 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.11 |
| Compound Name | 1,2-Dihydroxymintlactone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 198.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 198.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.7665515999999998 |
| Inchi | InChI=1S/C10H14O4/c1-5-6-3-4-10(2,13)8(11)7(6)14-9(5)12/h7-8,11,13H,3-4H2,1-2H3/t7-,8+,10-/m0/s1 |
| Smiles | CC1=C2CC[C@]([C@@H]([C@H]2OC1=O)O)(C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Suberosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Rhodiola Rosea (Plant) Rel Props:Source_db:cmaup_ingredients