Cleroindicin F
PubChem CID: 10374646
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| Compound Synonyms | Cleroindicin F, 189264-47-9, 6(2H)-Benzofuranone, 3,3a,7,7a-tetrahydro-3a-hydroxy-, (3aR,7aR)-, (3aR,7aR)-3a-hydroxy-2,3,7,7a-tetrahydro-1-benzofuran-6-one, (-)-RENGYOLONE, CHEMBL463370, HY-N3602, AKOS028109313, DA-51959, FS-10522, CS-0023923, E89036 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 221.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3aR,7aR)-3a-hydroxy-2,3,7,7a-tetrahydro-1-benzofuran-6-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.7 |
| Molecular Formula | C8H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HSGPAWIMHOPPDA-SFYZADRCSA-N |
| Fcsp3 | 0.625 |
| Logs | -1.408 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.002 |
| Compound Name | Cleroindicin F |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 154.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.3548229999999999 |
| Inchi | InChI=1S/C8H10O3/c9-6-1-2-8(10)3-4-11-7(8)5-6/h1-2,7,10H,3-5H2/t7-,8+/m1/s1 |
| Smiles | C1CO[C@H]2[C@@]1(C=CC(=O)C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cornus Controversa (Plant) Rel Props:Source_db:cmaup_ingredients