Swartzianin D
PubChem CID: 10036922
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Swartzianin D, (1aS,5S,7bR)-5-hydroxy-3,3,5,7b-tetramethyl-1a,2-dihydro-1H-cyclopropa(e)azulen-6-one, (1aS,5S,7bR)-5-hydroxy-3,3,5,7b-tetramethyl-1a,2-dihydro-1H-cyclopropa[e]azulen-6-one, CHEMBL516569, 176678-78-7 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | QPOZXRYBUZKPPP-AMFBXLIHSA-N |
| Fcsp3 | 0.6666666666666666 |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Compound Name | Swartzianin D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 232.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.146 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 483.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 232.32 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1aS,5S,7bR)-5-hydroxy-3,3,5,7b-tetramethyl-1a,2-dihydro-1H-cyclopropa[e]azulen-6-one |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -2.7861026 |
| Inchi | InChI=1S/C15H20O2/c1-13(2)6-9-7-14(9,3)10-5-12(16)15(4,17)11(10)8-13/h5,8-9,17H,6-7H2,1-4H3/t9-,14+,15-/m0/s1 |
| Smiles | C[C@@]12C[C@@H]1CC(C=C3C2=CC(=O)[C@@]3(C)O)(C)C |
| Xlogp | 2.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H20O2 |
- 1. Outgoing r'ship
FOUND_INto/from Porella Swartziana (Plant) Rel Props:Source_db:cmaup_ingredients