Furosardonin A
PubChem CID: 44222875
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| Compound Synonyms | Furosardonin A, (-)-Furosardonin A, 7UU7ZKH82C, UNII-7UU7ZKH82C, Furosardonin A , (-)-, 74638-12-3, (4S,4aR,8R)-4,4a,5,6,8,9-Hexahydro-6,6,8-trimethylazuleno(5,6-C)furan-4-ol, Azuleno(5,6-C)furan-4-ol, 4,4a,5,6,8,9-hexahydro-6,6,8-trimethyl-, (4S-(4alpha,4aalpha,8beta))-, AZULENO(5,6-C)FURAN-4-OL, 4,4A,5,6,8,9-HEXAHYDRO-6,6,8-TRIMETHYL-, (4S-(4.ALPHA.,4A.ALPHA.,8.BETA.))-, (5R,8aR,9S)-5,7,7-trimethyl-5,8,8a,9-tetrahydro-4H-azuleno(5,6-c)furan-9-ol, (5R,8aR,9S)-5,7,7-trimethyl-5,8,8a,9-tetrahydro-4H-azuleno[5,6-c]furan-9-ol, FUROSARDONIN A, (-)-, Q27896939 |
|---|---|
| Topological Polar Surface Area | 33.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 345.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (5R,8aR,9S)-5,7,7-trimethyl-5,8,8a,9-tetrahydro-4H-azuleno[5,6-c]furan-9-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C15H20O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VFKMKXFLOYASKK-IUPBHXKESA-N |
| Fcsp3 | 0.6 |
| Logs | -3.964 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.176 |
| Compound Name | Furosardonin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 232.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 232.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0667496588235297 |
| Inchi | InChI=1S/C15H20O2/c1-9-4-10-7-17-8-13(10)14(16)12-6-15(2,3)5-11(9)12/h5,7-9,12,14,16H,4,6H2,1-3H3/t9-,12-,14+/m1/s1 |
| Smiles | C[C@@H]1CC2=COC=C2[C@H]([C@H]3C1=CC(C3)(C)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients