Farfugin A
PubChem CID: 5317316
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| Compound Synonyms | Farfugin A, 36061-18-4, 3,5,9-trimethyl-6,7,8,9-tetrahydrobenzo[g][1]benzofuran, 3,5,9-trimethyl-6,7,8,9-tetrahydrobenzo(g)(1)benzofuran, (9S)-1,5,9-trimethyl-6,7,8,9-tetrahydrobenzo(e)(1)benzofuran, (9S)-1,5,9-trimethyl-6,7,8,9-tetrahydrobenzo[e][1]benzofuran, CHEMBL399793 |
|---|---|
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 262.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5,9-trimethyl-6,7,8,9-tetrahydrobenzo[g][1]benzofuran |
| Prediction Hob | 0.0 |
| Xlogp | 4.8 |
| Molecular Formula | C15H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LBXSOZAXYXJJLL-UHFFFAOYSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -6.454 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.448 |
| Compound Name | Farfugin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 214.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.583759599999999 |
| Inchi | InChI=1S/C15H18O/c1-9-5-4-6-12-10(2)7-13-11(3)8-16-15(13)14(9)12/h7-9H,4-6H2,1-3H3 |
| Smiles | CC1CCCC2=C1C3=C(C=C2C)C(=CO3)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Farfugium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ligularia Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all